input word = C00037989

Metabolite InformationStructural formula
Name Vielanin C
Formula C30H36O8
Mw 524.24101813
CAS RN 339527-15-0
C_ID C00037989 ,
InChIKey PNVWXXXZIZVVSK-BWBAQCJANA-N
InChICode InChI=1S/C30H36O8/c1-13-11-29(33)17(25(3,4)35-37-29)9-15-19(13)23(31)21-22-24(32)20-14(2)12-30(34)18(26(5,6)36-38-30)10-16(20)28(22,8)27(15,21)7/h9-10,13-14,21-22,33-34H,11-12H2,1-8H3/t13-,14+,21-,22-,27+,28+,29-,30-/m0/s1
SMILES [C@]12([C@@H]([C@@H]3[C@]1(C1=C(C3=O)[C@H](C[C@]3(C(=C1)C(C)(C)OO3)O)C)C)C(=O)C1=C2C=C2[C@](C[C@H]1C)(OOC2(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia vielana Ref.
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OrganismXylopia vielana
ReferenceKamperdick,Phytochem.,56,(2001),335