input word = C00002908

Metabolite InformationStructural formula
Name Alnusiin
Formula C41H26O26
Mw 934.07123101
CAS RN 78836-99-4
C_ID C00002908 ,
InChIKey OAZHOQDMOPZBMN-CQKBIYKKNA-N
InChICode InChI=1S/C41H26O26/c42-12-1-7-18(26(51)22(12)47)19-8(2-13(43)23(48)27(19)52)39(58)67-35-34(66-38(7)57)32-17(62-41(35)60)6-61-36(55)11-5-14(44)24(49)29(54)30(11)63-31-16(46)4-9-20(28(31)53)21-10(40(59)64-32)3-15(45)25(50)33(21)65-37(9)56/h1-5,17,32,34-35,41-54,60H,6H2/t17-,32+,34-,35-,41-/m1/s1
SMILES [C@@H]12[C@@H]3[C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1Oc1c(O)c4c(cc1O)c(=O)oc1c4c(cc(c1O)O)C(=O)O2)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeAlnus sieboldiana Ref.
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