input word = C00010618

Metabolite InformationStructural formula
Name Mollugoside
Formula C17H22O12
Mw 418.11112617
CAS RN 82526-63-4
C_ID C00010618 ,
InChIKey MLZKYGRNLPVMHX-NFVUMFGBNA-N
InChICode InChI=1S/C17H22O12/c1-26-13(22)7-5-27-14(9-6(7)2-3-17(9,25)16(23)24)29-15-12(21)11(20)10(19)8(4-18)28-15/h2-3,5-6,8-12,14-15,18-21,25H,4H2,1H3,(H,23,24)/t6-,8+,9+,10+,11-,12-,14-,15-,17+/m0/s1
SMILES [C@@H]12[C@H]([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@@](C=C2)(O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGalium mollugo Ref.
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