| NPC27243 |
TUJQVRFWMWRMIO-XRNRSJMDSA-N |
n.a. |
1 |
3 |
| NPC196227 |
Ustusol B |
(4R,4aS,6R,8aS)-4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one |
2 |
2 |
| NPC247835 |
SECPZKHBENQXJG-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC173690 |
Indicine |
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
1 |
2 |
| NPC229475 |
KRWNKOCPQBHMPM-FKEZDPINSA-N |
n.a. |
0 |
0 |
| NPC220759 |
DMNRMQZQSQMOKH-HUTLCRKWSA-N |
n.a. |
0 |
0 |
| NPC294548 |
Linolenic Acid |
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
78 |
247 |
| NPC68267 |
NPBAXCRDRPTPBM-SKDRFNHKSA-N |
n.a. |
0 |
0 |
| NPC196924 |
Heptadecanoic Acid |
heptadecanoic acid |
3 |
4 |
| NPC23046 |
Ustusolate D |
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6,6-dimethoxyhexa-2,4-dienoate |
2 |
2 |
| NPC155461 |
PRWSVPQHBZCZSH-VBYALHQYSA-N |
n.a. |
0 |
0 |
| NPC216630 |
Palmitic Acid |
hexadecanoic acid |
59 |
236 |
| NPC202651 |
Bruguiesulfurol |
(4R)-1,1-dioxodithiolan-4-ol |
1 |
1 |
| NPC229216 |
MVXFWIGJTYCCIF-CLTAVNFZSA-N |
n.a. |
0 |
0 |
| NPC234560 |
Daidzein |
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
133 |
372 |
| NPC201844 |
Dodecanoate |
dodecanoic acid |
50 |
131 |
| NPC4465 |
WRFQSAJQCWCJNX-SCOBNMCVSA-N |
n.a. |
0 |
0 |
| NPC108202 |
6-Methoxyboeravinone C |
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
1 |
2 |
| NPC57801 |
QHMGJGNTMQDRQA-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC293249 |
PDDAWBKYAQATSA-IZLXSQMJSA-N |
n.a. |
0 |
0 |
| NPC96613 |
XYAFXNZYAGVVKV-PELKAZGASA-N |
n.a. |
0 |
0 |
| NPC222153 |
Bruguierin C |
[(1R,3S,5S,8R,9S,10R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-1-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate |
1 |
1 |
| NPC243728 |
Daucosterol |
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
37 |
69 |
| NPC23925 |
UGXLTDJSORIITQ-QTGUNEKASA-N |
n.a. |
0 |
0 |
| NPC139473 |
HMNTVNBFGYYJPC-IPMKNSEASA-N |
n.a. |
0 |
0 |
| NPC143008 |
NXQKNJIQGBLGMU-XVYITHGISA-N |
n.a. |
1 |
1 |
| NPC76314 |
GJKRXKRIZWXPJJ-JOYOIKCWSA-N |
n.a. |
0 |
0 |
| NPC307729 |
HWOAHVAPMFFSAN-PVXSWLFQSA-N |
n.a. |
0 |
0 |
| NPC266359 |
VRJXHZFMWFCEBQ-ZANVPECISA-N |
n.a. |
0 |
0 |
| NPC145444 |
ZTTVBVYURKHFBD-QDMLRJGXSA-N |
n.a. |
0 |
0 |
| NPC26229 |
Hentriacontane |
hentriacontane |
2 |
6 |
| NPC216127 |
HMSWAIKSFDFLKN-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC104050 |
VYUGROORELIDOB-MOHQOPMHSA-N |
n.a. |
0 |
0 |
| NPC142027 |
Aspergillumarin B |
(3R)-8-hydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one |
4 |
4 |
| NPC107860 |
DMNRMQZQSQMOKH-YRIPFXIYSA-N |
n.a. |
0 |
0 |
| NPC255647 |
ZDNOXIFLPQLCOX-GMTJQZGOSA-N |
n.a. |
0 |
0 |
| NPC48957 |
YHGOPYILBIAFGW-HSIFCZRMSA-N |
n.a. |
0 |
0 |
| NPC34903 |
HMNTVNBFGYYJPC-CEXWTWQISA-N |
n.a. |
0 |
0 |
| NPC120151 |
KNTWJKOMBDNCPG-UIAACRFSSA-N |
n.a. |
0 |
0 |
| NPC105354 |
UKSAKNWEBQKXTA-ZPNQOMQUSA-N |
n.a. |
0 |
0 |
| NPC138222 |
MVXFWIGJTYCCIF-NOWQDGDBSA-N |
n.a. |
0 |
0 |
| NPC27407 |
Aspergillumarin A |
(3R)-8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one |
4 |
4 |
| NPC3016 |
WLFOUQMJTBECIJ-BLKUEGHMSA-N |
n.a. |
1 |
1 |
| NPC230923 |
GGEGLRHQJXGBSH-SHXLBUERSA-N |
n.a. |
1 |
1 |
| NPC222147 |
KSUJTHWJHKZHAD-PJKJDQBBSA-N |
n.a. |
0 |
0 |
| NPC101366 |
2'-O-Methylabronisoflavone |
5,7-dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one |
2 |
3 |
| NPC168030 |
VDITZMXVLPMLRE-CEXWTWQISA-N |
n.a. |
0 |
0 |
| NPC71394 |
FCBPGJGLXFXABE-YRIPFXIYSA-N |
n.a. |
0 |
0 |
| NPC217914 |
Ustusorane B |
7-methyl-2-propan-2-ylidene-9H-furo[3,2-h]isochromen-3-one |
2 |
2 |
| NPC263785 |
ZIHZXANXJPKCTM-QWHCGFSZSA-N |
n.a. |
0 |
0 |
| NPC196561 |
PDBJJFJKNSKTSW-SIABEIIVSA-N |
n.a. |
0 |
0 |
| NPC29678 |
RMRLASQFTPYVGV-YGPNDZQQSA-N |
n.a. |
0 |
0 |
| NPC162742 |
Campesterol |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
1 |
2 |
| NPC219560 |
Ustusorane C |
(7R,9S)-9-methoxy-7-methyl-2-propan-2-ylidene-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one |
3 |
3 |
| NPC28657 |
Cholesterol |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
43 |
84 |
| NPC69871 |
PDRMUDPRIABQRI-LLCRWXGJSA-N |
n.a. |
0 |
0 |
| NPC297117 |
UOWGLBYIKHMCIS-OAHLLOKOSA-N |
n.a. |
0 |
0 |
| NPC105267 |
PCBKWKNYISJGPJ-BUHFOSPRSA-N |
n.a. |
0 |
0 |
| NPC148403 |
FWUCJPCZVONVMT-SFHVURJKSA-N |
n.a. |
0 |
0 |
| NPC67917 |
Amphotericin B |
(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate |
281 |
6670 |
| NPC234106 |
QUARCAYGECBTQS-UTNYUIOZSA-N |
n.a. |
0 |
0 |
| NPC257383 |
DTMIPKXLCMUODX-HHBCTJDESA-N |
n.a. |
0 |
0 |
| NPC292825 |
CQCKOPHUTBMXHC-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC238041 |
SUJUOAZFECLBOA-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC230085 |
Trigonelline |
1-methylpyridin-1-ium-3-carboxylate |
13 |
19 |
| NPC106770 |
OSELKOCHBMDKEJ-WGMIZEQOSA-N |
n.a. |
0 |
0 |
| NPC123965 |
Squalene |
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
9 |
17 |
| NPC274729 |
BIVPSFJZWLPAKQ-CABZTGNLSA-N |
n.a. |
0 |
0 |
| NPC207632 |
FYUKKVDWTSHXKN-VIFPVBQESA-N |
n.a. |
0 |
0 |
| NPC126503 |
UMVIJKMALQMIIB-MPDWGWIWSA-N |
n.a. |
0 |
0 |
| NPC119036 |
Bruguierin A |
[(1R,3S,5S,8R,9S,10R,13R,14R,17S)-1-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate |
2 |
3 |
| NPC331129 |
RFHAOTPXVQNOHP-UHFFFAOYSA-N |
n.a. |
206 |
5931 |
| NPC134717 |
RJIIQBYZGJSODH-QWRGUYRKSA-N |
n.a. |
5 |
10 |
| NPC283011 |
CYGIFCNWAGBMNK-CTZQRVGRSA-N |
n.a. |
0 |
0 |
| NPC90232 |
YKNWIILGEFFOPE-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC107629 |
QMPZNDBIBKPBLS-UQZPWQSVSA-N |
n.a. |
0 |
0 |
| NPC179798 |
[(5R,5As,9As,9Bs)-9B-Hydroxy-6,6,9A-Trimethyl-1-Oxo-3,5,5A,7,8,9-Hexahydrobenzo[E][2]Benzofuran-5-Yl] (2E,4E,6E)-Octa-2,4,6-Trienoate |
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate |
3 |
3 |
| NPC19404 |
MKXDAWJZYZIEIP-OAHLLOKOSA-N |
n.a. |
0 |
0 |
| NPC301585 |
Myristic Acid |
tetradecanoic acid |
46 |
128 |
| NPC142349 |
CQSQPVBCEOJOFH-CXAGYDPISA-N |
n.a. |
0 |
0 |
| NPC216187 |
QMPZNDBIBKPBLS-VFCLNGDNSA-N |
n.a. |
0 |
0 |
| NPC151250 |
UWHZIFQPPBDJPM-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC267741 |
FCBPGJGLXFXABE-HUTLCRKWSA-N |
n.a. |
0 |
0 |
| NPC187445 |
JTJJJLSLKZFEPJ-GOTSBHOMSA-N |
n.a. |
0 |
0 |
| NPC249578 |
MVXFWIGJTYCCIF-WVBDSBKLSA-N |
n.a. |
0 |
0 |
| NPC73921 |
OBOHVTYKFOAOLV-BPJJOFIESA-L |
n.a. |
0 |
0 |
| NPC158963 |
Berkeleyacetal B |
n.a. |
2 |
2 |
| NPC233481 |
DTMIPKXLCMUODX-KOGWCRERSA-N |
n.a. |
0 |
0 |
| NPC279974 |
Bruguierin B |
[(3S,5R,8R,9R,10S,11R,13R,14R,17S)-11-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate |
1 |
1 |
| NPC56448 |
Ustusolate E |
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6-oxohexa-2,4-dienoate |
5 |
5 |
| NPC116726 |
Ustusol A |
(4R,4aS,7S,8aS)-4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one |
2 |
2 |
| NPC295263 |
LWXJBFFPVPUUSL-GTSVTKQESA-N |
n.a. |
0 |
0 |
| NPC249194 |
BQTHAHCFODJOGN-DUBPVYKHSA-N |
n.a. |
0 |
0 |
| NPC22260 |
XEJNHBMJNYJKBH-VNQPRFMTSA-N |
n.a. |
0 |
0 |
| NPC209970 |
Stearic Acid |
octadecanoic acid |
31 |
69 |
| NPC228906 |
(2S,7R,9S)-9-Methoxy-7-Methyl-2-Propan-2-Yl-7,9-Dihydro-6H-Furo[3,2-H]Isochromen-3-One |
(2S,7R,9S)-9-methoxy-7-methyl-2-propan-2-yl-7,9-dihydro-6H-furo[3,2-h]isochromen-3-one |
1 |
1 |
| NPC136932 |
WSYMNFBVLKNIMC-QKMNUUQDSA-N |
n.a. |
0 |
0 |
| NPC260691 |
IDPDCBWKAQHWIS-QGZVFWFLSA-N |
n.a. |
0 |
0 |
| NPC196370 |
AIPGFNUXBCTPNS-WMLDXEAASA-N |
n.a. |
0 |
0 |
| NPC153958 |
BJQWYEJQWHSSCJ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC258220 |
PDDAWBKYAQATSA-OLQVQODUSA-N |
n.a. |
0 |
0 |
| NPC299505 |
SSIAJGSCGQAALW-BEQYNWFXSA-N |
n.a. |
0 |
0 |
| NPC159630 |
Trigonelline Hydrochloride |
1-methylpyridin-1-ium-3-carboxylic acid;chloride |
11 |
11 |
| NPC84771 |
QSJIZGQGHYROGD-RCUJSYDTSA-N |
n.a. |
0 |
0 |
| NPC145277 |
ZHQUHDHFPDBIHU-CAIFHESVSA-N |
n.a. |
0 |
0 |
| NPC199773 |
7-O-Acetylsecopenicillide C |
6-[2-(acetyloxymethyl)-6-hydroxy-4-methylphenoxy]-2-hydroxy-3-(3-methylbut-2-enyl)benzoic acid |
2 |
2 |
| NPC163755 |
VHQQPFLOGSTQPC-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC2114 |
LCDBRGPJMWXDGF-ZIAGYGMSSA-N |
n.a. |
0 |
0 |
| NPC27349 |
ACIODAKBJVREKJ-MAPHFDCTSA-N |
n.a. |
4 |
7 |
| NPC77249 |
Triacontane |
triacontane |
2 |
2 |
| NPC201950 |
NGIJTYOKLKCHNE-VKHMYHEASA-N |
n.a. |
0 |
0 |
| NPC17599 |
HHAMKMUMKLXDFQ-GVUXFJDWSA-N |
n.a. |
0 |
0 |
| NPC23795 |
DNXKJVUHCLCPTL-DFOHKYHISA-N |
n.a. |
0 |
0 |
| NPC113733 |
Stigmasterol |
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
37 |
91 |
| NPC470772 |
9-O-Methyl-4-Hydroxyboeravinone B |
4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one |
3 |
4 |
| NPC39426 |
Genistein |
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
378 |
1494 |
| NPC189092 |
NGUMVQCHIOFLOU-FBJIGQNJSA-N |
n.a. |
0 |
0 |
| NPC83702 |
Ustusol C |
(1S,4R,4aS,8aS)-1,2-bis(hydroxymethyl)-4-methoxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol |
2 |
2 |
| NPC298802 |
Delta-1',3'-1'-Dehydroxypenicillide |
6-hydroxy-1-methoxy-8-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]-10H-benzo[b][1,5]benzodioxocin-12-one |
1 |
1 |
| NPC286052 |
3'-O-Methyldehydroisopenicillide |
6-hydroxy-1-methoxy-2-[(E)-3-methoxy-3-methylbut-1-enyl]-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one |
1 |
1 |
| NPC26974 |
Nonacosane |
nonacosane |
1 |
4 |
| NPC230301 |
Beta-Sitosterol |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
107 |
201 |
| NPC126750 |
QSBYPNXLFMSGKH-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC264833 |
QBBWCNRGHXCLSU-FQQVEVELSA-N |
n.a. |
0 |
0 |
| NPC294409 |
Biochanin |
5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
143 |
418 |
| NPC37132 |
ISYWECDDZWTKFF-UHFFFAOYSA-N |
n.a. |
1 |
1 |
| NPC231051 |
RJKLDOLOCIQYFS-NZSIPYHHSA-N |
n.a. |
0 |
0 |
| NPC154186 |
Pentadecanoic Acid |
pentadecanoic acid |
6 |
13 |
| NPC307945 |
ZQFOIAZVGMJWKM-PWSUYJOCSA-N |
n.a. |
0 |
0 |
| NPC43360 |
PJHOFUXBXJNUAC-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC3707 |
NGUMVQCHIOFLOU-AYMMMOKOSA-N |
n.a. |
0 |
0 |
| NPC85813 |
Linoleic Acid |
(9Z,12Z)-octadeca-9,12-dienoic acid |
60 |
235 |
| NPC119802 |
XNTNCSKBTFROEZ-YAVZHVFSSA-N |
n.a. |
0 |
0 |
| NPC43520 |
AIPGFNUXBCTPNS-RHSMWYFYSA-N |
n.a. |
1 |
1 |
| NPC149184 |
Elcosanoic Acid |
icosanoic acid |
9 |
11 |
| NPC261831 |
Oleic Acid |
(Z)-octadec-9-enoic acid |
128 |
256 |
Organism Name: Mirabilis jalapa