CHEBI:221790 - Shuangdaolide B

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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 B
ChEBI ID CHEBI:221790
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H46O8
Net Charge 0
Average Mass 570.723
Monoisotopic Mass 570.31927
InChI InChI=1S/C33H46O8/c1-19-7-10-25-22(4)30(37)31(38)26(25)11-9-24(34)18-28(40-29(36)12-8-20(2)27(35)17-19)23(5)32-21(3)13-15-33(41-32)14-6-16-39-33/h7-11,17,21,23-28,32,34-35,37H,6,12-16,18H2,1-5H3/b10-7+,11-9?,19-17+,20-8+/t21-,23+,24+,25+,26-,27-,28+,32-,33-/m1/s1
InChIKey YRCPAEJYEVLNJS-RCHXMUGHSA-N
SMILES O=C1O[C@H]([C@@H]([C@@H]2O[C@@]3(OCCC3)CC[C@H]2C)C)C[C@@H](O)C=C[C@H]4C(=O)C(O)=C([C@@H]4C=CC(=C[C@H](C(=CC1)C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Shuangdaolide B (CHEBI:221790) is a macrolide (CHEBI:25106)