PCIDB

KNApSAcK Metabolite C00006444

Metabolite

KNApSAcK Entry

id C00006444
Name Xanthochymusside
CAS RN 31654-49-6
Standard InChI InChI=1S/C36H32O17/c37-11-22-27(44)30(47)32(49)36(52-22)51-21-10-19(43)24-29(46)31(48)34(13-3-6-16(40)17(41)7-13)53-35(24)25(21)26-28(45)23-18(42)8-15(39)9-20(23)50-33(26)12-1-4-14(38)5-2-12/h1-10,22,26-27,30-34,36-44,47-49H,11H2/t22?,26-,27+,30-,31?,32?,33+,34+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H32O17/c37-11-22-27(44)30(47)32(49)36(52-22)51-21-10-19(43)24-29(46)31(48)34(13-3-6-16(40)17(41)7-13)53-35(24)25(21)26-28(45)23-18(42)8-15(39)9-20(23)50-33(26)12-1-4-14(38)5-2-12/h1-10,22,26-27,30-34,36-44,47-49H,11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 341

Link

ChEMBL

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KEGG

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CTD

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