PCIDB

KNApSAcK Metabolite C00011190

Metabolite

KNApSAcK Entry

id C00011190
Name Cyanidin 3-O-[(6-O-malonyl-2-O-beta-D-xylopyranosyl)-beta-D-glucopyranoside]-7-O-beta-D-glucopyranoside
CAS RN 339079-78-6
Standard InChI InChI=1S/C35H40O23/c36-8-20-25(45)27(47)30(50)34(56-20)53-12-4-15(38)13-6-19(31(54-18(13)5-12)11-1-2-14(37)16(39)3-11)55-35-32(58-33-29(49)24(44)17(40)9-52-33)28(48)26(46)21(57-35)10-51-23(43)7-22(41)42/h1-6,17,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)/p+1/t17-,20?,21?,24?,25-,26-,27+,28+,29?,30?,32?,33+,34-,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H40O23/c36-8-20-25(45)27(47)30(50)34(56-20)53-12-4-15(38)13-6-19(31(54-18(13)5-12)11-1-2-14(37)16(39)3-11)55-35-32(58-33-29(49)24(44)17(40)9-52-33)28(48)26(46)21(57-35)10-51-23(43)7-22(41)42/h1-6,17,20-21,24-30,32-36,40,44-50H,7-10H2,(H3-,37,38,39,41,42)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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