input word = C00044395

Metabolite InformationStructural formula
Name (+)-12alpha,28-Dihydroxy-3alpha-(3'-hydroxy-3'-methylglutaryloxy)-24-methyllanosta-8,24(31)-dien-26-oic acid
Formula C37H58O9
Mw 646.40808345
CAS RN 601491-11-6
C_ID C00044395 ,
InChIKey RGQTXIRZQWQEOP-HUHXQDRENA-N
InChICode InChI=1S/C37H58O9/c1-21(23(3)32(43)44)9-10-22(2)24-13-16-36(7)25-11-12-27-34(5,26(25)17-28(39)37(24,36)8)15-14-29(35(27,6)20-38)46-31(42)19-33(4,45)18-30(40)41/h22-24,27-29,38-39,45H,1,9-20H2,2-8H3,(H,40,41)(H,43,44)/t22-,23+,24-,27-,28+,29-,33-,34-,35-,36+,37+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@](C)(CO)[C@@H]1CC3)[C@H](C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaePiptoporus betulinus Ref.
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