PCIDB

KNApSAcK Metabolite C00011095

Metabolite

KNApSAcK Entry

id C00011095
Name Cyanidin 3-O-[beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside]
CAS RN 190279-20-0
Standard InChI InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)41(31)61)5-9-39(59)76-20-37-44(64)47(67)49(69)53(83-37)78-25-16-28(58)26-18-35(81-55-50(70)46(66)43(63)36(19-56)82-55)52(79-29(26)17-25)24-7-8-27(57)30(15-24)80-54-51(71)48(68)45(65)38(84-54)21-77-40(60)10-6-23-13-33(74-3)42(62)34(14-23)75-4/h5-18,36-38,43-51,53-56,63-71H,19-21H2,1-4H3,(H3-,57,58,59,60,61,62)/p+1/t36-,37?,38-,43-,44-,45-,46?,47+,48?,49?,50?,51?,53-,54-,55-/m1/s1
Standard InChI (Main Layer) InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)41(31)61)5-9-39(59)76-20-37-44(64)47(67)49(69)53(83-37)78-25-16-28(58)26-18-35(81-55-50(70)46(66)43(63)36(19-56)82-55)52(79-29(26)17-25)24-7-8-27(57)30(15-24)80-54-51(71)48(68)45(65)38(84-54)21-77-40(60)10-6-23-13-33(74-3)42(62)34(14-23)75-4/h5-18,36-38,43-51,53-56,63-71H,19-21H2,1-4H3,(H3-,57,58,59,60,61,62)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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