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 [C@@H]1([C@@H](C([C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@]([C@H](C1)OC(=O)C)([C@H](CC2)[C@@H]1[C@H](O[C@@H](CC1)C(O)(C)C)O)C)C)C)(C)C)OC(=O)C)OC(=O)C[C@](C(=O)O)(C)O
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