input word = C00057674

Metabolite InformationStructural formula
Name Sebiferenic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 94390-09-7
C_ID C00057674
InChIKey JMJVYEINATYJHM-KLXPJGLFSA-N
InChICode InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/t18-,19+,21+,22+,23+,27+,28-,29+,30-/m1/s1
SMILES O[C@@H]1C(C)(C)[C@]2([H])CC[C@@]3(C)C4=CC[C@@]5(C(O)=O)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]2(C)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium sebiferum Ref.
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OrganismSapium sebiferum
ReferenceWani, M.C. et al., J. Nat. Prod., 1983, 46, 537 (isol)