PCIDB

KNApSAcK Metabolite C00006860

Metabolite

KNApSAcK Entry

id C00006860
Name Peonidin 3-(6''-malonylglucoside)
CAS RN 122856-11-5
Standard InChI InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18?,21-,22?,23?,25-/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

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KEGG

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CTD

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