input word = C00057670

Metabolite InformationStructural formula
Name 1-O-Octanoylsophorose
Formula C20H36O12
Mw 468.22067662
CAS RN 942619-34-3
C_ID C00057670
InChIKey PKTOHQWFHRKNMN-SYVJZRHHSA-N
InChICode InChI=1S/C20H36O12/c1-2-3-4-5-6-7-12(23)31-20-18(16(27)14(25)11(9-22)30-20)32-19-17(28)15(26)13(24)10(8-21)29-19/h10-11,13-22,24-28H,2-9H2,1H3/t10-,11-,13-,14-,15+,16+,17-,18-,19+,20+/m1/s1
SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(CCCCCCC)=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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