input word = C00013283

Metabolite InformationStructural formula
Name (+)-Geranin D
Geranin D
Formula C45H34O15
Mw 814.18977042
CAS RN 385367-01-1
C_ID C00013283 ,
InChIKey MMBACJOZVSORQJ-UNCWEFAHNA-N
InChICode InChI=1S/C45H34O15/c46-21-7-1-18(2-8-21)39-29(53)15-25-26(50)16-31-35(40(25)56-39)38-34-28(52)17-32-36(41(34)60-45(59-31,43(38)55)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-30(33)57-44(58-32,42(37)54)19-3-9-22(47)10-4-19/h1-14,16-17,29,37-39,42-43,46-55H,15H2/t29-,37-,38-,39-,42-,43-,44+,45-/m1/s1
SMILES Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc6c(c5O[C@@](c5ccc(O)cc5)(O4)C3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O6)C3O)C[C@@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeGeranium niveum Ref.
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