CHEBI:203092 - Halichoblelide 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 Halichoblelide B
ChEBI ID CHEBI:203092
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H84O15
Net Charge 0
Average Mass 937.218
Monoisotopic Mass 936.58102
InChI InChI=1S/C51H84O15/c1-15-37-34(9)65-50(59-13,26-40(37)58-12)32(7)45(55)30(5)48-28(3)21-17-19-24-43(54)64-49(29(4)22-18-20-23-42(53)63-48)31(6)46(56)33(8)51(60-14)27-41(38(16-2)35(10)66-51)62-44-25-39(52)47(57)36(11)61-44/h17-24,28-41,44-49,52,55-57H,15-16,25-27H2,1-14H3/b21-17+,22-18+,23-20+,24-19+/t28-,29-,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,44-,45+,46+,47+,48-,49-,50+,51+/m0/s1
InChIKey SRXWVIGSPYVDJK-QSHJZNHNSA-N
SMILES O=C1O[C@@H]([C@H](C=CC=CC(=O)O[C@@H]([C@H](C=CC=C1)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](CC)[C@@H](C2)OC)C)OC)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]3(O[C@@H]([C@@H](CC)[C@@H](C3)O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C)C)OC)C)C
Metabolite of Species Details
Streptomyces hygroscopicus (NCBI:txid1912) See: DOI
ChEBI Ontology
Outgoing Halichoblelide B (CHEBI:203092) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5E,7S,8S,11E,13E,15S,16S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5-ethyl-2,4-dimethoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual Xref Database
29214575 ChemSpider
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