input word = C00043552

Metabolite InformationStructural formula
Name Gynosaponin TN-1
Formula C36H62O9
Mw 638.43938358
CAS RN 77658-94-7
C_ID C00043552 ,
InChIKey VRIIDCOLNSFSHH-UHFFFAOYNA-N
InChICode InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(42)28(41)27(40)23(18-37)44-31)20-11-14-35(7)26(20)21(38)16-25-33(5)17-22(39)30(43)32(3,4)24(33)12-15-34(25,35)6/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21-,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,33+,34+,35-,36-/m0/s1
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(O)C(C)(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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OrganismGynostemma pentaphyllum
ReferenceLiu,J.Nat.Prod.,67,(2004),1147