input word = C00009062

Metabolite InformationStructural formula
Name Ourateaproanthocyanidin B
Formula C31H28O12
Mw 592.15807636
CAS RN 27567-66-4
C_ID C00009062 ,
InChIKey JPFCOVZKLAXXOE-ONBDHDQBNA-N
InChICode InChI=1S/C31H28O12/c1-41-31-20(37)6-13(7-21(31)38)28-22(39)10-16-17(34)11-19(36)25(30(16)43-28)26-24-18(35)8-15(33)9-23(24)42-29(27(26)40)12-2-4-14(32)5-3-12/h2-9,11,22,26-29,32-40H,10H2,1H3/t22-,26-,27+,28-,29+/m0/s1
SMILES COc1c(O)cc([C@H]2Oc3c(c(O)cc(O)c3[C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)cc4)[C@@H]3O)C[C@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus rigida Ref.
PlantaeCelastraceaePrionostemma aspera Ref.
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