input word = C00009339

Metabolite InformationStructural formula
Name Eugenigrandin A
Formula C56H38O32
Mw 1222.13461913
CAS RN 145826-25-1
C_ID C00009339 ,
InChIKey RAGDRWAJGDFGKH-JPCHRJATNA-N
InChICode InChI=1S/C56H38O32/c57-14-7-15(58)26(48-10(14)3-21(64)47(85-48)9-1-16(59)34(65)17(60)2-9)31-30-33-29(43(74)46(77)44(30)75)28-32-27(41(72)45(76)42(28)73)25-13(6-20(63)37(68)40(25)71)53(79)84-22-8-83-52(78)11-4-18(61)35(66)38(69)23(11)24-12(5-19(62)36(67)39(24)70)54(80)86-49(22)51(88-56(32)82)50(31)87-55(33)81/h1-2,4-7,21-22,31,47,49-51,57-77H,3,8H2/t21-,22-,31+,47-,49-,50+,51+/m1/s1
SMILES O=C1O[C@H]2[C@@H](c3c(O)cc(O)c4c3O[C@H](c3cc(O)c(O)c(O)c3)[C@@H](O)C4)c3c(O)c(O)c(O)c(c31)-c1c(O)c(O)c(O)c3c1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1-3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeAnogeissus acuminata var. lanceolata Ref.
PlantaeFagaceaeQuercus petraea Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeMyrtaceaeSyzygium aqueum Ref.
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