input word = C00030528

Metabolite InformationStructural formula
Name Isogambogenic acid
Formula C38H46O8
Mw 630.31926845
CAS RN 887923-47-9
C_ID C00030528 ,
InChIKey RCWNBHCZYXWDOV-JPQQYOTQNA-N
InChICode InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16+/t24-,28+,37+,38-/m1/s1
SMILES c1(c(c(c2c(c1CC=C(C)C)O[C@@]13C(=C[C@H]4C(=O)[C@@]1(OC([C@@H]3C4)(C)C)C/C=C(/C(=O)O)\C)C2=O)O)C/C=C(\C)/CCC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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