input word = C00035897

Metabolite InformationStructural formula
Name Yadanzigan
Formula C26H38O14
Mw 574.22615592
CAS RN 76588-87-9
C_ID C00035897 ,
InChIKey GLBAPTKVDVXEGQ-UHFFFAOYNA-N
InChICode InChI=1S/C26H38O14/c1-8-4-10(38-22-15(30)14(29)13(28)11(6-27)39-22)18(32)23(2)9(8)5-12-25-7-37-24(3,19(33)16(31)17(23)25)26(25,36)20(34)21(35)40-12/h4,9-20,22,27-34,36H,5-7H2,1-3H3/t9-,10+,11?,12-,13-,14-,15-,16+,17+,18+,19+,20+,22-,23-,24+,25+,26-/m1/s1
SMILES CC1=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea amarissima (Lour.) Desv.ex B.A.Gomes Ref.
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