input word = C00006209

Metabolite InformationStructural formula
Name Isoorientin 6''-O-rhamnoside
Formula C27H30O15
Mw 594.15847029
CAS RN 108602-35-3
C_ID C00006209 ,
InChIKey UUADGBNGCDJIKC-XVWIBHQSNA-N
InChICode InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(40-8)39-7-16-20(33)23(36)24(37)26(42-16)18-13(31)6-15-17(21(18)34)12(30)5-14(41-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-38H,7H2,1H3/t8-,16-,19-,20+,22-,23-,24+,25+,26-,27+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeTriticum sp. Ref.
PlantaePoaceaeTriticum spp. Ref.
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