input word = C00009102

Metabolite InformationStructural formula
Name Davallin
Formula C60H50O23
Mw 1138.27428791
CAS RN 139390-86-6
C_ID C00009102 ,
InChIKey LXCJDJORVXDTBW-JLEGQXMQNA-N
InChICode InChI=1S/C60H50O23/c61-24-6-1-20(2-7-24)57-55(79)50(47-41(82-57)19-37(73)44(52(47)76)48-42-33(69)14-25(62)15-40(42)81-58(53(48)77)22-4-9-28(64)31(67)12-22)46-35(71)17-34(70)45-49(54(78)59(83-60(45)46)23-5-10-29(65)32(68)13-23)43-36(72)18-39-26(51(43)75)16-38(74)56(80-39)21-3-8-27(63)30(66)11-21/h1-15,17-19,38,48-50,53-59,61-79H,16H2/t38-,48+,49+,50-,53-,54-,55-,56-,57-,58-,59-/m1/s1
SMILES Oc1ccc([C@H]2Oc3cc(O)c([C@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@@H]4O)c(O)c3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]4c3c(O)cc4c(c3O)C[C@@H](O)[C@@H](c3ccc(O)c(O)c3)O4)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia mariesii Ref.
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