PCIDB

KNApSAcK Metabolite C00013142

Metabolite

KNApSAcK Entry

id C00013142
Name Ejap 5 / [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
CAS RN 60389-91-5
Standard InChI InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(41-19(4)35)31(15-39-17(2)33)28(43-21(6)37)25(44-29(38)22-12-10-9-11-13-22)24-27(42-20(5)36)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3
Standard InChI (Main Layer) InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(41-19(4)35)31(15-39-17(2)33)28(43-21(6)37)25(44-29(38)22-12-10-9-11-13-22)24-27(42-20(5)36)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 173

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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