CHEBI:223081 - Deoxypentalenylglucuron

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deoxypentalenylglucuron
ChEBI ID CHEBI:223081
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O8
Net Charge 0
Average Mass 410.463
Monoisotopic Mass 410.19407
InChI InChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9-,10-,12+,13+,14+,15+,16+,19+,21-/m1/s1
InChIKey BFYOGFPGIVIQCC-UPUKJNKPSA-N
SMILES O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@@H]1O)O)C2=C[C@@H]3CC(C)(C)C[C@@]43[C@H]2CC[C@H]4C
Metabolite of Species Details
Streptomyces omiyaensis (NCBI:txid68247) See: PubMed
ChEBI Ontology
Outgoing Deoxypentalenylglucuron (CHEBI:223081) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[(1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
Manual Xref Database
78443056 ChemSpider
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