input word = C00057680

Metabolite InformationStructural formula
Name Nonioside G
Formula C34H60O18
Mw 756.37796512
CAS RN 944746-19-4
C_ID C00057680
InChIKey PBQNNOWXXBNMLW-VGBIGFRDSA-N
InChICode InChI=1S/C34H60O18/c1-3-5-7-9-11-13-21(36)46-16-19-24(39)27(42)30(45)33(49-19)52-31-28(43)25(40)20(50-34(31)51-22(37)14-12-10-8-6-4-2)17-47-32-29(44)26(41)23(38)18(15-35)48-32/h18-20,23-35,38-45H,3-17H2,1-2H3/t18-,19-,20-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-,33+,34+/m1/s1
SMILES O[C@@H]1[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CCCCCCC)=O)O3)[C@H](OC(CCCCCCC)=O)O2)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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