input word = C00064202

Metabolite InformationStructural formula
Name Saponin 4
Formula C58H94O27
Mw 1222.5982478
CAS RN 2378721-92-5
C_ID C00064202
InChIKey ODFDUQMMQREOBL-BHCKHIHCSA-N
InChICode InChI=1S/C58H94O27/c1-23-34(65)39(70)42(73)48(78-23)83-44-37(68)26(18-60)80-51(46(44)85-47-41(72)35(66)24(62)19-75-47)81-27-20-76-50(45(38(27)69)84-49-43(74)40(71)36(67)25(17-59)79-49)82-33-10-11-54(5)28(52(33,2)3)8-12-55(6)29(54)9-13-58-30-14-53(4,21-61)15-31(63)57(30,22-77-58)32(64)16-56(55,58)7/h21,23-51,59-60,62-74H,8-20,22H2,1-7H3/t23-,24+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-,49-,50-,51-,53+,54-,55+,56-,57+,58-/m0/s1
SMILES CC1OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(C(O)CC(C)(C=O)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum comosum Ref.
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