input word = C00055428

Metabolite InformationStructural formula
Name Chikusetsusaponin VI
Formula C59H100O27
Mw 1240.64519799
CAS RN 137348-15-3
C_ID C00055428
InChIKey JCICPMFMVXNAOW-UHFFFAOYSA-N
InChICode InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-48(76)43(71)39(67)30(82-53)23-79-51-46(74)41(69)37(65)28(19-60)80-51)25-11-16-58(7)35(25)26(62)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)84-54-49(85-52-47(75)42(70)38(66)29(20-61)81-52)44(72)40(68)31(83-54)22-78-50-45(73)36(64)27(63)21-77-50/h10,25-54,60-76H,9,11-23H2,1-8H3
SMILES CC(CC/C=C(C)/C)(OC1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1)C3CCC4(C)C5(C)CCC6C(C)(C)C(OC7C(OC8C(O)C(O)C(O)C(CO)O8)C(O)C(O)C(COC9OCC(O)C(O)C9O)O7)CCC6(C)C5CC(O)C43
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax pseudo-ginseng var. angustatus Ref.
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