input word = C00052993

Metabolite InformationStructural formula
Name Daldinin A3
Formula C29H42O5
Mw 470.30322445
CAS RN 162558-83-0
C_ID C00052993
InChIKey IBSPQJYONRFSNR-VAWYXSNFSA-N
InChICode InChI=1S/C29H42O5/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/h11-12,20-22H,4-10,13-19H2,1-3H3/b12-11+
SMILES CC(OC=C1C(C2(OC(CCCCCCC/C=C/CCCCCCCC)=O)C)=O)=CC1=CC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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