input word = C00023931

Metabolite InformationStructural formula
Name Hebelomic acid E
Formula C37H58O10
Mw 662.40299807
CAS RN 167875-43-6
C_ID C00023931 ,
InChIKey JNRQRPKBDLOHNR-YIADTDBKNA-N
InChICode InChI=1S/C37H58O10/c1-20(38)45-29-25(46-31(42)37(9,44)19-28(39)40)18-34(6)23-15-17-35(7)22(21-10-13-27(33(4,5)43)47-30(21)41)14-16-36(35,8)24(23)11-12-26(34)32(29,2)3/h21-22,25-27,29-30,41,43-44H,10-19H2,1-9H3,(H,39,40)/t21-,22-,25-,26+,27+,29+,30-,34-,35-,36+,37+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](OC(=O)C(C)(O)CC(=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)CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma senescens Ref.
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