input word = C00014101

Metabolite InformationStructural formula
Name Perfoliatumin A
Isoorientin 6''-O-p-hydroxybenzoate
Formula C28H24O13
Mw 568.12169086
CAS RN 325772-31-4
C_ID C00014101 ,
InChIKey HEXZRUBZGYRPRD-VWBMEHPMNA-N
InChICode InChI=1S/C28H24O13/c29-13-4-1-11(2-5-13)28(38)39-10-20-23(34)25(36)26(37)27(41-20)22-17(33)9-19-21(24(22)35)16(32)8-18(40-19)12-3-6-14(30)15(31)7-12/h1-9,20,23,25-27,29-31,33-37H,10H2/t20-,23-,25+,26-,27+/m1/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1ccc(cc1)O)O)O)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum perfoliatum Ref.
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