input word = C00055401

Metabolite InformationStructural formula
Name Capsicoside B
Formula C58H98O30
Mw 1274.6142918
CAS RN 160219-65-8
C_ID C00055401
InChIKey XWRUXKJSSDFCCN-UHFFFAOYSA-N
InChICode InChI=1S/C58H98O30/c1-21(20-78-51-44(73)40(69)36(65)30(15-59)80-51)8-11-58(77-5)22(2)35-29(88-58)13-26-24-7-6-23-12-28(27(64)14-57(23,4)25(24)9-10-56(26,35)3)79-52-47(76)43(72)48(34(19-63)84-52)85-55-50(87-54-46(75)42(71)38(67)32(17-61)82-54)49(39(68)33(18-62)83-55)86-53-45(74)41(70)37(66)31(16-60)81-53/h21-55,59-76H,6-20H2,1-5H3
SMILES OCC1OC(OC2C(OC3OC(CO)C(O)C(O)C3O)C(O)C(CO)OC2OC4C(O)C(O)C(OC5CC(CCC6C7CCC8(C)C6CC9C8C(C)C(CCC(C)COC%10OC(CO)C(O)C(O)C%10O)(OC)O9)C7(C)CC5O)OC4CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. conides Ref.
PlantaeSolanaceaeCapsicum annuum var. fasciculatum Ref.
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