input word = C00042441

Metabolite InformationStructural formula
Name Daedaleanic acid A
(+)-Daedaleanic acid A
Formula C31H46O4
Mw 482.33960996
CAS RN 861399-67-9
C_ID C00042441 ,
InChIKey MFOKWUZMHJXWFI-UMEGOXRBNA-N
InChICode InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1
SMILES c1c2c(c(c(c1)C)CCC(=O)C(C)C)CC[C@]1([C@]2(C[C@H]([C@@H]1[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeDaedalea dickinsii Ref.
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