CHEBI:212216 - Cyphomycin

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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 Cyphomycin
ChEBI ID CHEBI:212216
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C77H122O26
Net Charge 0
Average Mass 1463.797
Monoisotopic Mass 1462.82243
InChI InChI=1S/C77H122O26/c1-13-62(99-66-38-76(12,95)74(48(11)98-66)102-65-29-27-63(47(10)97-65)100-75(94)46(9)71(92)49-23-26-58-59(31-49)61(86)30-42(5)67(58)88)43(6)69(90)44(7)70(91)45(8)72-41(4)21-25-51(79)16-14-18-52(80)32-54(82)33-55(83)34-57-35-56(84)37-77(96,103-57)73(93)68(89)40(3)20-24-50(78)17-15-19-53(81)36-60(85)39(2)22-28-64(87)101-72/h21-23,25-26,28,30-31,39-41,43-48,50-57,60,62-63,65-66,68-72,74,78-85,89-92,95-96H,13-20,24,27,29,32-38H2,1-12H3/b25-21-,28-22-
InChIKey ITSGAQYTKYPNTH-GYSGNKOWSA-N
SMILES O=C1OC(C(C=CC(O)CCCC(O)CC(O)CC(O)CC2OC(C(C(C(CCC(CCCC(CC(C(C=C1)C)O)O)O)C)O)=O)(O)CC(C2)O)C)C(C(O)C(C(O)C(C(OC3OC(C(OC4OC(C(OC(=O)C(C(O)C5=CC=6C(=O)C=C(C)C(C6C=C5)=O)C)CC4)C)C(C3)(O)C)C)CC)C)C)C
Metabolite of Species Details
Streptomycesspecies ISID311 (NCBI:txid2601673) See: PubMed
ChEBI Ontology
Outgoing Cyphomycin (CHEBI:212216) is a macrolide (CHEBI:25106)
IUPAC Name
[6-[6-[8-[(12E,18E)-3,5,7,11,21,23,27,31,33,35-decahydroxy-14,20,30-trimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-12,18-dien-15-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate