input word = C00009106

Metabolite InformationStructural formula
Name Arecatannin A2
Formula C60H50O24
Mw 1154.26920253
CAS RN 79763-29-4
C_ID C00009106 ,
InChIKey QFLMUASKTWGRQE-PFEBZLNMNA-N
InChICode InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1
SMILES c12c([C@@H]([C@H]([C@H](O1)c1cc(c(cc1)O)O)O)c1c3c([C@@H]([C@H]([C@H](O3)c3cc(c(cc3)O)O)O)c3c4c([C@H]([C@H]([C@H](O4)c4cc(c(cc4)O)O)O)c4c5c(C[C@H]([C@H](O5)c5cc(c(cc5)O)O)O)c(cc4O)O)c(cc3O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeAreca catechu Ref.
PlantaePinaceaePseudotsuga menziesii Ref.
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