input word = C00052835

Metabolite InformationStructural formula
Name Aspergilone A
Formula C26H26O3
Mw 386.1881947
CAS RN 1262154-38-0
C_ID C00052835
InChIKey SURSMSCPWPKKAE-HKUYNNGSSA-N
InChICode InChI=1S/C26H26O3/c1-17-19(3)29-16-22-23(17)18(2)24(27)26(25(22)28,14-20-10-6-4-7-11-20)15-21-12-8-5-9-13-21/h4-13,16-17,19H,14-15H2,1-3H3/t17-,19-/m0/s1
SMILES CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(=O)C(Cc2ccccc2)(Cc2ccccc2)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus sp. ZJ-2008001 Ref.
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