input word = C00003678

Metabolite InformationStructural formula
Name Bryodulcosigenin
Formula C30H50O4
Mw 474.37091008
CAS RN 4965-97-3
C_ID C00003678 ,
InChIKey FPMQKXQOBKDVHF-XPLCBALPNA-N
InChICode InChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,28+,29-,30+/m1/s1
SMILES C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia dioica Ref.
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OrganismBryonia dioica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter57