input word = C00052996

Metabolite InformationStructural formula
Name Daldinin B3
Formula C29H44O5
Mw 472.31887452
CAS RN 162558-86-3
C_ID C00052996
InChIKey FIVJZCIHKWCKAY-VAWYXSNFSA-N
InChICode InChI=1S/C29H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)34-29(3)26(30)21-24-20-23(2)33-22-25(24)28(29)32/h11-12,21-23H,4-10,13-20H2,1-3H3/b12-11+
SMILES CCCCCCCC/C=C/CCCCCCCC(=O)OC1(C)C(=O)C=C2CC(C)OC=C2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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