input word = C00047651

Metabolite InformationStructural formula
Name 25-Hydroxy-3-epitumulosic acid
(+)-25-Hydroxy-3-epitumulosic acid
Formula C31H50O5
Mw 502.36582471
CAS RN 1186498-29-2
C_ID C00047651 ,
InChIKey QXIXZJPJZNHILH-PVHFFCHFNA-N
InChICode InChI=1S/C31H50O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h19,22-25,32-33,36H,1,9-17H2,2-8H3,(H,34,35)/t19-,22-,23+,24-,25+,29-,30-,31+/m1/s1
SMILES C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Poria cocos Ref.
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