input word = C00011166

Metabolite InformationStructural formula
Name 2''-O-p-Hydroxybenzoylorientin
Formula C28H24O13
Mw 568.12169086
CAS RN 865111-98-4
C_ID C00011166 ,
InChIKey VEKZKYQEOBRVSP-HAIWEMGGNA-N
InChICode InChI=1S/C28H24O13/c29-10-20-23(36)24(37)27(41-28(38)11-1-4-13(30)5-2-11)26(40-20)22-17(34)8-16(33)21-18(35)9-19(39-25(21)22)12-3-6-14(31)15(32)7-12/h1-9,20,23-24,26-27,29-34,36-37H,10H2/t20-,23+,24-,26-,27+/m0/s1
SMILES O=C(OC1[C@@H](O)C(O)C(CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex altissima Ref.
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