input word = C00005547

Metabolite InformationStructural formula
Name Isorhamnetin 3-O-neohesperidoside
Isorhamnetin 3-neohesperidoside
Isorhamnetin-3-O-neohesperidoside
Formula C28H32O16
Mw 624.16903498
CAS RN 55033-90-4
C_ID C00005547 ,
InChIKey QHLKSZBFIJJREC-GHLOOZCJNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16-,18-,19-,21+,22-,23-,26+,27-,28-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeCactaceaeOpuntia ficus-indica var.saboten Ref.
PlantaeCruciferaeNerisyrenia gracilis Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
PlantaePoaceaeZea mays Ref.
PlantaeTyphaceaeTypha angustata Ref.
PlantaeTyphaceaeTypha latifolia Ref.
PlantaeUrticaceaeParietaria officinalis Ref.
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