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CHEBI:197240 - Acolongifloriside K

Default Structure
ChEBI IDCHEBI:197240
ChEBI NameAcolongifloriside K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O12
Net Charge0
Average Mass584.659
Monoisotopic Mass584.28328
SMILESCC1O[C@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)C(O)C(O)[C@H]1O
InChIInChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15-,16+,17?,18+,19+,21?,22-,23?,24?,25+,26+,27-,28+,29-/m0/s1
InChIKeyLPMXVESGRSUGHW-BNSWSSRWSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Acolongifloriside K (CHEBI:197240) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
21208ChemSpider