input word = C00052991

Metabolite InformationStructural formula
Name Daldinin A1
Formula C27H40O5
Mw 444.28757439
CAS RN 162558-81-8
C_ID C00052991
InChIKey MHTAGPSACKDAFK-HHHXNRCGSA-N
InChICode InChI=1S/C27H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)32-27(3)24(28)19-22-18-21(2)31-20-23(22)26(27)30/h18-20H,4-17H2,1-3H3/t27-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)O[C@]1(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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