input word = C00052995

Metabolite InformationStructural formula
Name Daldinin B1
Formula C27H42O5
Mw 446.30322445
CAS RN 162558-85-2
C_ID C00052995
InChIKey NOZFBBMXHIVLNO-UHFFFAOYSA-N
InChICode InChI=1S/C27H42O5/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/h19-21H,4-18H2,1-3H3
SMILES CC1OC=C(C(C2(OC(CCCCCCCCCCCCCCC)=O)C)=O)C(C1)=CC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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