input word = C00006257

Metabolite InformationStructural formula
Name 2''-(4'''-Hydroxybenzoyl)-isoorientin
Formula C28H24O13
Mw 568.12169086
CAS RN 67308-38-7
C_ID C00006257 ,
InChIKey CMHUXCFQCMZVCA-BBBGOSSINA-N
InChICode InChI=1S/C28H24O13/c29-10-20-23(35)25(37)27(41-28(38)11-1-4-13(30)5-2-11)26(40-20)22-17(34)9-19-21(24(22)36)16(33)8-18(39-19)12-3-6-14(31)15(32)7-12/h1-9,20,23,25-27,29-32,34-37H,10H2/t20-,23-,25+,26+,27-/m1/s1
SMILES O=C(OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea gigantea Ref.
PlantaeGentianaceaeGentiana asclepiadea Ref.
zoom in