input word = C00023930

Metabolite InformationStructural formula
Name Hebelomic acid B
Formula C39H60O12
Mw 720.40847738
CAS RN 123746-66-7
C_ID C00023930 ,
InChIKey ZVWPAHHGXFZBIA-ZZEVEDJNNA-N
InChICode InChI=1S/C39H60O12/c1-20(40)48-29-17-25-24(37(8)16-15-23(39(29,37)10)22-11-14-28(35(5,6)46)51-32(22)43)12-13-27-34(3,4)31(49-21(2)41)26(18-36(25,27)7)50-30(42)19-38(9,47)33(44)45/h22-23,26-29,31-32,43,46-47H,11-19H2,1-10H3,(H,44,45)/t22-,23-,26-,27+,28+,29+,31+,32+,36-,37+,38+,39+/m1/s1
SMILES CC(=O)O[C@H]1CC2=C(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)[C@H](OC(=O)C[C@](C)(O)C(=O)O)C[C@]23C)C2(C)CC[C@H]([C@H]3CC[C@@H](C(C)(C)O)OC3O)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma senescens Ref.
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OrganismHebeloma senescens
ReferenceGarlaschelli,J.Nat.Prod.,58,(1995),992-1002