CHEBI:214645 - 32,33-didehydroroflamycoin

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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 32,33-didehydroroflamycoin
ChEBI ID CHEBI:214645
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H64O12
Net Charge 0
Average Mass 736.940
Monoisotopic Mass 736.43978
InChI InChI=1S/C40H64O12/c1-26(2)38-27(3)15-16-29(41)17-30(42)18-31(43)19-32(44)20-33(45)21-34(46)22-35(47)24-40(50)25-36(48)23-37(52-40)14-12-10-8-6-5-7-9-11-13-28(4)39(49)51-38/h5-13,15-16,26-27,29-38,41-48,50H,14,17-25H2,1-4H3
InChIKey VMVYYIRRFSRPER-UHFFFAOYSA-N
SMILES O=C1OC(C(C=CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(CC2(OC(CC=CC=CC=CC=CC=C1C)CC(O)C2)O)O)C)C(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 32,33-didehydroroflamycoin (CHEBI:214645) is a macrolide (CHEBI:25106)
IUPAC Name
19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-15-propan-2-yl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11,17-hexaen-13-one