input word = C00023929

Metabolite InformationStructural formula
Name Hebelomic acid A
3beta-Acetyl-2alpha-(3'-hydroxy-3'-methyl)glutarylcrustulinol
Formula C37H58O11
Mw 678.3979127
CAS RN 123773-80-8
C_ID C00023929 ,
InChIKey FEDSJMADTSLWLE-DOFGCQFYNA-N
InChICode InChI=1S/C37H58O11/c1-19(38)46-29-24(47-28(40)18-36(8,45)31(42)43)17-34(6)23-16-26(39)37(9)21(20-10-13-27(33(4,5)44)48-30(20)41)14-15-35(37,7)22(23)11-12-25(34)32(29,2)3/h20-21,24-27,29-30,39,41,44-45H,10-18H2,1-9H3,(H,42,43)/t20-,21-,24-,25+,26+,27+,29+,30+,34-,35+,36+,37+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)C(=O)O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)C1(C)CC[C@H]([C@H]2CC[C@@H](C(C)(C)O)OC2O)[C@@]1(C)[C@@H](O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma crustuliniforme Ref.
FungiHymenogastraceaeHebeloma sinapizans Ref.
FungiHymenogastraceaeHebeloma spoliatum Ref.
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