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List of plants having phytochemicals: 3,3-Dimethyloctane-2,7-dione



Sl. No Plant Name
1Ceratophyllum demersum
2Chloroxylon swietenia

Details of 3,3-Dimethyloctane-2,7-dione




General Information
IUPAC (2S,3S,5R)-2-[(2R,4S,5R)-4-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(3S,8S,9S,10R,13S,14S,16S,17R)-17-ethyl-16-[(2S,5R)-2-methoxy-5-methyl-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Canonical Smiles CCC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)OC6CC(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC(C)(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC
Inchi ZFYYMSQQUPRMFY-IZUUDHNCSA-N
PubChem ID 70699388
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
2D Structure
3D Structure
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCCCCCCCCCCCCCCCCCCCCCCCCCCC%28%3DO%29O/file?format=sdf&get3d=True -- CCCCCCCCCCCCCCCCCCCCCCCCCCCC%28%3DO%29O could not be loaded.
Classification
Class Oxygenated hydrocarbons
Super Class Fatty acyls
Pathways Fatty acids
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