input word = C00052994

Metabolite InformationStructural formula
Name Daldinin A4
Formula C29H40O5
Mw 468.28757439
CAS RN 162558-84-1
C_ID C00052994
InChIKey PEXQKYJISMRMBZ-MVKOLZDDSA-N
InChICode InChI=1S/C29H40O5/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/h8-9,11-12,20-22H,4-7,10,13-19H2,1-3H3/b9-8+,12-11+
SMILES CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC1(C)C(=O)C=C2C=C(C)OC=C2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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OrganismDaldinia concentrica
ReferenceOsmanova, N. et al. Phytochem. Rev., 9, (2010), 315-342.