input word = C00009363

Metabolite InformationStructural formula
Name Mongolicain A
Formula C63H42O36
Mw 1374.14557774
CAS RN 118964-16-2
C_ID C00009363 ,
InChIKey YHGSNYIEGYMROL-AHJXVOLFNA-N
InChICode InChI=1S/C63H42O36/c64-17-2-1-11(3-19(17)66)52-24(71)4-12-18(65)9-20(67)30(53(12)96-52)35-34-37-33(47(81)50(84)48(34)82)32-36-31(45(79)49(83)46(32)80)29-14(6-22(69)39(73)43(29)77)60(89)95-26-10-93-59(88)15-8-25(94-54-16(58(86)87)7-23(70)40(74)51(54)85)41(75)44(78)28(15)27-13(5-21(68)38(72)42(27)76)61(90)97-55(26)57(99-63(36)92)56(35)98-62(37)91/h1-3,5-9,24,26,35,52,55-57,64-85H,4,10H2,(H,86,87)/t24-,26+,35-,52-,55+,56-,57-/m0/s1
SMILES O=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)O[C@H]1[C@@H]3OC(=O)c4c(c(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@@H]1COC2=O)-c1c(O)c(O)c(O)c2c1C(=O)O[C@H]3[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus mongolica Ref.
PlantaeMyrtaceaePsidium guajava Ref.
zoom in



OrganismQuercus mongolica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Ishimaru,Chem.Pharm.Bull.,36,(1988),3319