PCIDB

KNApSAcK Metabolite C00005648

Metabolite

KNApSAcK Entry

id C00005648
Name Patuletin 3,7-diglucoside / Quercetagetin 6-methyl ether 3,7-diglucoside / 2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS RN 33530-68-6
Standard InChI InChI=1S/C28H32O18/c1-41-25-12(43-27-22(39)20(37)16(33)13(6-29)44-27)5-11-15(18(25)35)19(36)26(24(42-11)8-2-3-9(31)10(32)4-8)46-28-23(40)21(38)17(34)14(7-30)45-28/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3/t13?,14?,16-,17-,20+,21?,22?,23?,27-,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H32O18/c1-41-25-12(43-27-22(39)20(37)16(33)13(6-29)44-27)5-11-15(18(25)35)19(36)26(24(42-11)8-2-3-9(31)10(32)4-8)46-28-23(40)21(38)17(34)14(7-30)45-28/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

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KEGG

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