input word = C00037647

Metabolite InformationStructural formula
Name Pinicolol C
Formula C30H46O3
Mw 454.34469533
CAS RN 300378-16-9
C_ID C00037647 ,
InChIKey KKEFNIPVRNZVIF-AOBUSOOHNA-N
InChICode InChI=1S/C30H46O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-24,26,31,33H,8,10,12,14-18H2,1-7H3/t20-,23+,24+,26-,28+,29+,30+/m0/s1
SMILES CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeFomitopsis pinicola Ref.
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