input word = C00006387

Metabolite InformationStructural formula
Name Isoorientin 7-O-apiofuranoside
Formula C26H28O15
Mw 580.14282023
CAS RN 151649-39-7
C_ID C00006387 ,
InChIKey YXIOTWOIJIXKTK-HYBPRSAONA-N
InChICode InChI=1S/C26H28O15/c27-6-16-19(32)21(34)22(35)23(40-16)18-15(41-25-24(36)26(37,7-28)8-38-25)5-14-17(20(18)33)12(31)4-13(39-14)9-1-2-10(29)11(30)3-9/h1-5,16,19,21-25,27-30,32-37H,6-8H2/t16-,19-,21+,22-,23+,24+,25+,26+/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OCC(O)(CO)C3O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVelloziaceaeVellozia sp. Ref.
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