CHEBI:197210 - 17-beta-Estradiol glucuronide

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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 17-beta-Estradiol glucuronide
ChEBI ID CHEBI:197210
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H32O8
Net Charge 0
Average Mass 448.512
Monoisotopic Mass 448.20972
InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKey MTKNDAQYHASLID-RNFKDHMMSA-N
SMILES O([C@@H]1[C@@]2(C(C3C(CC2)C4=C(CC3)C=C(O)C=C4)CC1)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing 17-beta-Estradiol glucuronide (CHEBI:197210) is a steroid saponin (CHEBI:61655)
IUPAC Name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid
Manual Xrefs Databases
59797 ChemSpider
HMDB0010317 HMDB
LMST05050028 LIPID MAPS
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