CHEBI:225013 - Defumarylhygrolidin

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ChEBI Name Defumarylhygrolidin
ChEBI ID CHEBI:225013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H56O7
Net Charge 0
Average Mass 576.815
Monoisotopic Mass 576.40260
InChI InChI=1S/C34H56O7/c1-11-28-22(4)15-16-34(38,41-28)27(9)31(36)26(8)32-29(39-10)14-12-13-20(2)17-23(5)30(35)24(6)18-21(3)19-25(7)33(37)40-32/h12-14,18-19,22-24,26-32,35-36,38H,11,15-17H2,1-10H3/b14-12+,20-13+,21-18+,25-19+
InChIKey BGFRYHHMLJUGPD-GWYBLXDQSA-N
SMILES O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1C)C)C)O)C)C)C(C(O)C(C2(OC(C(C)CC2)CC)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Defumarylhygrolidin (CHEBI:225013) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5E,11E,13E)-16-[4-(6-ethyl-2-hydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-15-methoxy-3,5,7,9,11-pentamethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual Xref Database
78444952 ChemSpider
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