input word = C00013944

Metabolite InformationStructural formula
Name Patuletin 3-(6''-p-coumaroylglucoside)
Quercetagetin 6-methyl ether 3-(6''-p-coumaroylglucoside)
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one
Formula C31H28O15
Mw 640.14282023
CAS RN 235741-39-6
C_ID C00013944 ,
InChIKey KJWWXDAOVGVYQG-COJDZXEYNA-N
InChICode InChI=1S/C31H28O15/c1-42-29-18(35)11-19-22(24(29)38)25(39)30(28(44-19)14-5-8-16(33)17(34)10-14)46-31-27(41)26(40)23(37)20(45-31)12-43-21(36)9-4-13-2-6-15(32)7-3-13/h2-11,20,23,26-27,31-35,37-38,40-41H,12H2,1H3/b9-4+/t20-,23-,26+,27-,31+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c(c(c(c2)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEriocaulaceaePaepalanthus denudatus Ref.
PlantaeEriocaulaceaePaepalanthus hilairei Ref.
PlantaeEriocaulaceaePaepalanthus polyanthus Ref.
PlantaeEriocaulaceaePaepalanthus ramosus Ref.
PlantaeEriocaulaceaePaepalanthus robustus Ref.
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OrganismPaepalanthus robustus
Referencede Andrade,Phytochem.,51,(1999),411