input word = C00054738

Metabolite InformationStructural formula
Name Bassiaic acid
Formula C30H46O5
Mw 486.33452458
CAS RN 465-01-0
C_ID C00054738
InChIKey FJGGNIPUSLFYJJ-QJTVMKANSA-N
InChICode InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,9,19-20,22-23,31-33H,8,10-17H2,1-6H3,(H,34,35)/t19-,20-,22+,23-,26-,27-,28+,29+,30-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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OrganismMadhuca longifolia
ReferenceKing, T.J. et al., JCS, 1961, 4308 (struct)