CHEBI:206639 - Chattamycin 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 Chattamycin B
ChEBI ID CHEBI:206639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H74O24
Net Charge 0
Average Mass 1095.151
Monoisotopic Mass 1094.45700
InChI InChI=1S/C53H74O24/c1-19-12-34(76-37-16-31(67-9)43(57)22(4)70-37)53(65)41-40(49(63)51(73-25(7)54)52(53,64)18-19)48(62)39-27(47(41)61)11-10-26(46(39)60)29-14-32(44(58)20(2)68-29)74-35-13-28(55)50(24(6)72-35)77-38-17-33(45(59)23(5)71-38)75-36-15-30(66-8)42(56)21(3)69-36/h10-12,20-24,28-38,42-45,49-51,55-60,63-65H,13-18H2,1-9H3/t20?,21?,22?,23?,24?,28?,29?,30?,31?,32?,33?,34-,35?,36?,37?,38?,42?,43?,44?,45?,49-,50?,51+,52+,53-/m1/s1
InChIKey SFLHFCULYUUTLC-QYVNVUHISA-N
SMILES O=C1C2=C(C(=O)C3=C1[C@@]4(O)[C@](O)(CC(C)=C[C@H]4OC5OC(C(O)C(C5)OC)C)[C@H]([C@@H]3O)OC(=O)C)C(O)=C(C6OC(C(O)C(C6)OC7OC(C(OC8OC(C(O)C(C8)OC9OC(C(O)C(C9)OC)C)C)C(C7)O)C)C)C=C2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Chattamycin B (CHEBI:206639) is a anthraquinone (CHEBI:22580)
Chattamycin B (CHEBI:206639) is a glycoside (CHEBI:24400)
IUPAC Name
[(1R,4aS,5S,6R,12bS)-4a,6,8,12b-tetrahydroxy-9-[5-hydroxy-4-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-1-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3-methyl-7,12-dioxo-1,4,5,6-tetrahydrobenzo[a]anthracen-5-yl] acetate