PCIDB

KNApSAcK Metabolite C00006637

Metabolite

KNApSAcK Entry

id C00006637
Name Pelargonidin 3-gentiobioside
CAS RN 103102-91-6
Standard InChI InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-9-18-20(33)22(35)24(37)27(42-18)40-16-7-13-14(31)5-12(30)6-15(13)39-25(16)10-1-3-11(29)4-2-10/h1-7,17-24,26-28,32-37H,8-9H2,(H2-,29,30,31)/p+1/t17?,18?,19-,20-,21?,22?,23?,24?,26-,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-9-18-20(33)22(35)24(37)27(42-18)40-16-7-13-14(31)5-12(30)6-15(13)39-25(16)10-1-3-11(29)4-2-10/h1-7,17-24,26-28,32-37H,8-9H2,(H2-,29,30,31)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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