input word = C00014103

Metabolite InformationStructural formula
Name Orientin 2''-O-caffeate
Formula C30H26O14
Mw 610.13225554
CAS RN 220726-08-9
C_ID C00014103 ,
InChIKey GLGMQXIELSJUJP-JRAGAMISNA-N
InChICode InChI=1S/C30H26O14/c31-11-22-26(40)27(41)30(44-23(39)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)9-18(36)24-20(38)10-21(42-28(24)25)13-3-5-15(33)17(35)8-13/h1-10,22,26-27,29-37,40-41H,11H2/b6-2+/t22-,26+,27-,29-,30+/m0/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex polygama Ref.
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