input word = C00009061

Metabolite InformationStructural formula
Name Ourateaproanthocyanidin A
Formula C31H28O12
Mw 592.15807636
CAS RN 18206-61-6
C_ID C00009061 ,
InChIKey JPFCOVZKLAXXOE-ZPNYQRGRNA-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 c12c([C@@H]([C@H]([C@H](O1)c1ccc(cc1)O)O)c1c3c(C[C@@H]([C@@H](O3)c3cc(c(c(c3)O)OC)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeElaeodendron balae Ref.
PlantaeCelastraceaeMaytenus loevis Ref.
PlantaeCelastraceaeMaytenus rigida Ref.
PlantaeCelastraceaePrionostemma aspera Ref.
PlantaeErythropalaceaeHeisteria pallida Ref.
PlantaeOchnaceaeOuratea sp. Ref.
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OrganismMaytenus rigida
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Delle Monache,Tetrahedron Lett.,26,(1967),4211

Drewes,Phytochem.,32,(1993),1041