input word = C00003142

Metabolite InformationStructural formula
Name Helminthosporoside A
Formula C39H64O22
Mw 884.38892373
CAS RN 86413-81-2
C_ID C00003142 ,
InChIKey USAJESQTSDBMKW-FKMFHQJNNA-N
InChICode InChI=1S/C39H64O22/c1-14-6-17(55-36-30(53)26(49)34(61-36)22(12-43)57-38-29(52)24(47)32(59-38)20(45)10-41)8-39(3)5-4-16(7-18(14)39)15(2)13-54-35-27(50)25(48)33(60-35)21(11-42)56-37-28(51)23(46)31(58-37)19(44)9-40/h16-17,19-38,40-53H,2,4-13H2,1,3H3/t16-,17+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38-,39+/m0/s1
SMILES C=C(CO[C@@H]1O[C@@H]([C@@H](CO)O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)C2O)[C@@H](O)C1O)C1CC[C@]2(C)C[C@H](O[C@@H]3O[C@@H]([C@@H](CO)O[C@@H]4O[C@@H]([C@H](O)CO)[C@@H](O)C4O)[C@@H](O)C3O)CC(C)=C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeHelminthosporium sacchari Ref.
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