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CHEBI:205063 - 7-epitsugicoline H

ChEBI IDCHEBI:205063
ChEBI Name7-epitsugicoline H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC1(C)C[C@H]2[C@H](O)c3coc(C(=O)O)c3[C@@](C)(O)[C@H]2C1
InChIInChI=1S/C15H20O5/c1-14(2)4-7-9(5-14)15(3,19)10-8(11(7)16)6-20-12(10)13(17)18/h6-7,9,11,16,19H,4-5H2,1-3H3,(H,17,18)/t7-,9+,11+,15+/m1/s1
InChIKeyCKYFQWVHKHQCLS-PMCHEESUSA-N
Species of MetaboliteComponentSourceComments
Clavicorona (ncbitaxon:48020) - DOI (10.1016/s0040-4020(03)00738-5)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7-epitsugicoline H (CHEBI:205063) is a furoic acid (CHEBI:36055)
IUPAC Name 
(4S,4aR,7aS,8S)-4,8-dihydroxy-6,6,8-trimethyl-4a,5,7,7a-tetrahydro-4H-cyclopenta[][2]benzouran-1-carboxylic acid
Manual XrefsDatabases
9996660ChemSpider