input word = C00057329

Metabolite InformationStructural formula
Name 1-O-Octanoylgentiobiose
Formula C20H36O12
Mw 468.22067662
CAS RN 291293-49-7
C_ID C00057329
InChIKey IKEWAMWVJFCTAE-UIBCBTHOSA-N
InChICode InChI=1S/C20H36O12/c1-2-3-4-5-6-7-12(22)32-20-18(28)16(26)14(24)11(31-20)9-29-19-17(27)15(25)13(23)10(8-21)30-19/h10-11,13-21,23-28H,2-9H2,1H3/t10-,11-,13-,14-,15+,16+,17-,18-,19-,20+/m1/s1
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@@H](O2)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2OC(CCCCCCC)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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OrganismMorinda citrifolia
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 483A

607B

1, 607C

1, 730A

1, 838D (ir)