CHEBI:202624 - Cytovaricin 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 Cytovaricin B
ChEBI ID CHEBI:202624
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H82O16
Net Charge 0
Average Mass 915.168
Monoisotopic Mass 914.56029
InChI InChI=1S/C48H82O16/c1-11-33(49)22-34-28(3)16-20-47(63-34)24-36-29(4)37(64-47)25-48(58-10)32(21-27(2)26-59-48)15-13-12-14-18-45(7,55)44(54)42(62-39-23-35(57-9)41(52)31(6)60-39)40(51)30(5)43(53)46(8,56)19-17-38(50)61-36/h13,15,17,19,27-37,39-44,49,51-56H,11-12,14,16,18,20-26H2,1-10H3/b15-13-,19-17-/t27-,28-,29-,30+,31?,32+,33+,34-,35?,36-,37-,39-,40+,41+,42-,43-,44+,45+,46+,47+,48-/m0/s1
InChIKey LJKNWVYWRGRCGM-VXJSJQLSSA-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@H]([C@@H]([C@H]([C@@H]([C@@](C=C1)(O)C)O)C)O)O[C@@H]5OC([C@@H](O)C(C5)OC)C)O)(O)C)OC)C
Metabolite of Species Details
Streptomyces torulosus (NCBI:txid68276) See: PubMed
ChEBI Ontology
Outgoing Cytovaricin B (CHEBI:202624) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,3S,5'S,6S,6'S,8S,9Z,14R,15R,16S,17R,18R,19S,20R,21Z,25S,27R,29R)-14,15,17,19,20-pentahydroxy-6'-[(2R)-2-hydroxybutyl]-16-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-methoxy-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
78436899 ChemSpider
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