CHEBI:225894 - 7-O-descarbamoyl-17-O-demethylreblastatin

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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 7-O-descarbamoyl-17-O-demethylreblastatin
ChEBI ID CHEBI:225894
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H41NO7
Net Charge 0
Average Mass 491.625
Monoisotopic Mass 491.28830
InChI InChI=1S/C27H41NO7/c1-15-10-19-13-20(14-21(29)26(19)32)28-27(33)16(2)8-7-9-22(34-5)24(30)17(3)12-18(4)25(31)23(11-15)35-6/h8,12-15,18,22-25,29-32H,7,9-11H2,1-6H3,(H,28,33)/b16-8+,17-12+
InChIKey HRHLYMXYSLWYLD-ZEEJYANVSA-N
SMILES O=C1NC2=CC(O)=C(O)C(=C2)CC(CC(OC)C(O)C(C=C(C(C(CCC=C1C)OC)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 7-O-descarbamoyl-17-O-demethylreblastatin (CHEBI:225894) is a phenols (CHEBI:33853)
IUPAC Name
(4E,10E)-9,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one
Manual Xref Database
78444709 ChemSpider
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