input word = C00037646

Metabolite InformationStructural formula
Name Pinicolic acid E
Formula C30H46O4
Mw 470.33960996
CAS RN 300378-14-7
C_ID C00037646 ,
InChIKey PKWORMXMWBDULM-NPZWKCLANA-N
InChICode InChI=1S/C30H46O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,22-23,25,31H,8,10-17H2,1-7H3,(H,33,34)/t19-,22-,23-,25+,28-,29-,30+/m1/s1
SMILES CC(C)=CCCC(C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeFomitopsis pinicola Ref.
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