CHEBI:221924 - Phthoramycin

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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 Phthoramycin
ChEBI ID CHEBI:221924
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H68O12
Net Charge 0
Average Mass 740.972
Monoisotopic Mass 740.47108
InChI InChI=1S/C40H68O12/c1-8-29(41)19-31-25(3)13-17-39(51-31)21-32-27(5)33(52-39)22-40(48)28(18-24(2)23-49-40)12-10-9-11-15-37(6,46)34(43)20-30(42)26(4)36(45)38(7,47)16-14-35(44)50-32/h10,12,14,16,24-34,36,41-43,45-48H,8-9,11,13,15,17-23H2,1-7H3/b12-10-,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34+,36+,37+,38-,39+,40+/m0/s1
InChIKey BNVZCZJOQPRHLO-GPQMWAJWSA-N
SMILES O=C1O[C@H]2[C@@H]([C@H](O[C@]3(C2)O[C@H]([C@@H](C)CC3)C[C@H](O)CC)C[C@]4(OC[C@@H](C)C[C@H]4C=CCCC[C@]([C@@H](C[C@H]([C@H]([C@H]([C@](C=C1)(O)C)O)C)O)O)(O)C)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Phthoramycin (CHEBI:221924) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,3R,5'S,6S,6'S,8S,9Z,14R,15R,17R,18R,19R,20S,21E,25R,27R,29R)-3,14,15,17,19,20-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
Manual Xref Database
78442965 ChemSpider
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