CHEBI:221795 - Shuangdaolide C

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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 Shuangdaolide C
ChEBI ID CHEBI:221795
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H44O8
Net Charge 0
Average Mass 568.707
Monoisotopic Mass 568.30362
InChI InChI=1S/C33H44O8/c1-19-8-13-26-22(4)31(38)32(39)27(26)14-11-24(34)18-29(36)23(5)33(21(3)9-12-25-7-6-16-40-25)41-30(37)15-10-20(2)28(35)17-19/h6-8,10-11,13-14,16-17,21,23-24,26-29,33-36,38H,9,12,15,18H2,1-5H3/b13-8?,14-11-,19-17+,20-10+/t21-,23+,24+,26+,27-,28-,29+,33-/m1/s1
InChIKey SUTCVGPOGHIEQM-KEUHMNNESA-N
SMILES O=C1O[C@@H]([C@H]([C@@H](O)C[C@@H](O)C=C[C@H]2C(=O)C(O)=C([C@@H]2C=CC(=C[C@H](C(=CC1)C)O)C)C)C)[C@@H](CCC=3OC=CC3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Shuangdaolide C (CHEBI:221795) is a macrolide (CHEBI:25106)