input word = C00020320

Metabolite InformationStructural formula
Name Officinalic acid
Formula C30H44O6
Mw 500.31378914
CAS RN 23983-77-9
C_ID C00020320 ,
InChIKey ODGNNLIOBJLXBP-FSMXBRCSNA-N
InChICode InChI=1S/C30H44O6/c1-25(2)10-8-13-28(6)18(25)15-20(31)29-14-9-17-21(23(32)33)27(5)12-7-11-26(3,4)19(27)16-30(17,36-29)35-24(34)22(28)29/h17-19,21-22H,7-16H2,1-6H3,(H,32,33)/t17-,18-,19-,21+,22+,27+,28-,29+,30+/m0/s1
SMILES C1CC[C@@]2([C@H](C1(C)C)C[C@@]13[C@H]([C@@H]2C(=O)O)CC[C@@]2([C@H](C(=O)O1)[C@@]1([C@@H](CC2=O)C(CCC1)(C)C)C)O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeFomes officinalis Ref.
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OrganismFomes officinalis
ReferenceEpstein,J. Am. Chem. Soc.,101,(1979),2748