input word = C00044697

Metabolite InformationStructural formula
Name Dehydrogaertneroside
(-)-Dehydrogaertneroside
Formula C26H26O13
Mw 546.13734092
CAS RN 497178-38-8
C_ID C00044697 ,
InChIKey POWUQYYCVSQIAC-UOBMLWBMNA-N
InChICode InChI=1S/C26H26O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-17,19-21,24-25,27-28,30-32H,9H2,1H3/t13-,16+,17+,19-,20-,21+,24+,25-,26+/m0/s1
SMILES O1C=C([C@H]2[C@H]([C@H]1O[C@H]1[C@H](O)[C@H]([C@H]([C@H](O1)CO)O)O)[C@]1(C=C2)OC(=O)C(=C1)C(=O)c1ccc(cc1)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda morindoides Ref.
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OrganismMorinda morindoides
ReferenceCimanga,J.Nat.Prod.,66,(2003),97