input word = C00044443

Metabolite InformationStructural formula
Name 3alpha,25-Dihydroxyolean-12-en-28-oic acid
(+)-3alpha,25-Dihydroxyolean-12-en-28-oic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 710306-91-5
C_ID C00044443 ,
InChIKey ZVNHGZQUXCHNLK-LLKMPABKNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)13-15-29(24(33)34)16-14-27(5)19(20(29)17-25)7-8-22-28(27,6)11-9-21-26(3,4)23(32)10-12-30(21,22)18-31/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22-,23+,27+,28+,29-,30+/m0/s1
SMILES C1[C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)CO)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Liquidamber styraciflua Ref.
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OrganismLiquidamber styraciflua
ReferenceSakai,J.Nat.Prod.,67,(2004),1088