CHEBI:185400 - 6-Hydroxysandoricin

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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 6-Hydroxysandoricin
ChEBI ID CHEBI:185400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C31H40O12
Net Charge 0
Average Mass 604.649
Monoisotopic Mass 604.25198
InChI InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3
InChIKey NKHYHRMLCJNKHW-UHFFFAOYSA-N
SMILES O1C23C(C(OC(=O)C)CC(C4(C1CC(OC(=O)C)C(C4C(O)C(OC)=O)(C)C)C)C2=C)(C(OC(=O)C3O)C=5C=COC5)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Hydroxysandoricin (CHEBI:185400) has functional parent tetracarboxylic acid (CHEBI:35742)
6-Hydroxysandoricin (CHEBI:185400) is a organooxygen compound (CHEBI:36963)
IUPAC Name
methyl 2-[5,11-diacetyloxy-13-(uran-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
Manual Xrefs Databases
170506 ChemSpider
HMDB0037556 HMDB
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Registry Number Type Source
133585-56-5 CAS Registry Number ChemIDplus