input word = C00040911

Metabolite InformationStructural formula
Name Caryoptosidic acid
(-)-Caryoptosidic acid
Formula C16H24O11
Mw 392.13186161
CAS RN 220271-92-1
C_ID C00040911 ,
InChIKey WAXHVHOTAZULHY-MNWUZISKNA-N
InChICode InChI=1S/C16H24O11/c1-16(24)8(18)2-5-6(13(22)23)4-25-14(9(5)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4-5,7-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t5-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@]([C@H](C2)O)(C)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeLippia graveolens Ref.
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