input word = C00042457

Metabolite InformationStructural formula
Name Dehydromethoxygaertneroside
(-)-Dehydromethoxygaertneroside
Formula C27H28O14
Mw 576.14790561
CAS RN 497178-39-9
C_ID C00042457 ,
InChIKey RIDIXCFHWOHPTF-FDZYOFHNNA-N
InChICode InChI=1S/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17+,18+,20-,21-,22+,25-,26-,27+/m0/s1
SMILES O1C=C([C@H]2[C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@]1(C=C2)OC(=O)C(=C1)C(=O)c1ccc(c(c1)OC)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
PlantaeRubiaceaeMorinda morindoides Ref.
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