input word = C00003538

Metabolite InformationStructural formula
Name Calenduloside E
(+)-Calenduloside E
Oleanoic acid 3-O-glucuronide
Silphioside F
(+)-Silphioside F
Formula C36H56O9
Mw 632.39243339
CAS RN 26020-14-4
C_ID C00003538 ,
InChIKey IUCHKMAZAWJNBJ-LVXJAFFINA-N
InChICode InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29-,33-,34+,35+,36-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeAraliaceaeAralia elata Ref.
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera nigra Ref.
PlantaeChenopodiaceaeBeta vulgaris Ref.
PlantaeCucurbitaceaeMomordica cochinchinensis Ref.
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OrganismLonicera nigra
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53