input word = C00057414

Metabolite InformationStructural formula
Name Sebiferone
Formula C32H48O5
Mw 512.35017464
CAS RN 502463-39-0
C_ID C00057414
InChIKey VLIRUVNDHAHOHO-ZNYMROPFSA-N
InChICode InChI=1S/C32H48O5/c1-19(33)37-25-17-24(34)31(8)20(28(25,4)5)9-12-29(6)21-11-14-32(26(35)36)16-15-27(2,3)18-23(32)30(21,7)13-10-22(29)31/h11,20,22-23,25H,9-10,12-18H2,1-8H3,(H,35,36)/t20-,22-,23-,25-,29-,30+,31-,32+/m0/s1
SMILES CC(=O)O[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]54)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium sebiferum Ref.
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