PCIDB

KNApSAcK Metabolite C00033687

Metabolite

KNApSAcK Entry

id C00033687
Name Calceolarioside E
CAS RN 117477-59-5
Standard InChI InChI=1S/C28H34O15/c29-11-20-23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)24(43-27-25(37)28(38,12-30)13-40-27)22(36)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2/b6-3+/t20-,22-,23-,24-,25+,26-,27+,28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H34O15/c29-11-20-23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)24(43-27-25(37)28(38,12-30)13-40-27)22(36)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2

Cluster

Phytochemical cluster
KCF-S cluster No. 33

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN