input word = C00003641

Metabolite InformationStructural formula
Name Vernadigin
Formula C30H44O10
Mw 564.29344763
CAS RN 30285-47-3
C_ID C00003641 ,
InChIKey NAQIOLFTZRJOKV-OZJSVACQNA-N
InChICode InChI=1S/C30H44O10/c1-16-26(34)22(37-3)11-24(39-16)40-18-4-8-28(15-31)19-5-7-27(2)25(17-10-23(33)38-14-17)21(32)13-30(27,36)20(19)6-9-29(28,35)12-18/h10,15-16,18-22,24-26,32,34-36H,4-9,11-14H2,1-3H3/t16-,18+,19+,20-,21+,22-,24-,25+,26+,27-,28+,29+,30+/m1/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@H](C2)O)C1=CC(=O)OC1)C)O)C=O)O)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAdonis vernalis Ref.
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OrganismAdonis vernalis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter55