PCIDB

KNApSAcK Metabolite C00006911

Metabolite

KNApSAcK Entry

id C00006911
Name Salviamalvin
CAS RN 128508-48-5
Standard InChI InChI=1S/C41H42O22/c1-55-24-9-18(10-25(56-2)32(24)48)39-26(61-41-38(54)36(52)33(49)27(63-41)15-57-30(46)8-5-17-3-6-19(42)7-4-17)13-21-22(59-39)11-20(43)12-23(21)60-40-37(53)35(51)34(50)28(62-40)16-58-31(47)14-29(44)45/h3-13,27-28,33-38,40-41,49-54H,14-16H2,1-2H3,(H3-,42,43,44,45,46,48)/p+1/t27?,28?,33-,34-,35+,36?,37?,38?,40-,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H42O22/c1-55-24-9-18(10-25(56-2)32(24)48)39-26(61-41-38(54)36(52)33(49)27(63-41)15-57-30(46)8-5-17-3-6-19(42)7-4-17)13-21-22(59-39)11-20(43)12-23(21)60-40-37(53)35(51)34(50)28(62-40)16-58-31(47)14-29(44)45/h3-13,27-28,33-38,40-41,49-54H,14-16H2,1-2H3,(H3-,42,43,44,45,46,48)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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