CHEBI:197805 - Quartromicin D2

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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 Quartromicin D2
ChEBI ID CHEBI:197805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C65H84O20
Net Charge 0
Average Mass 1185.367
Monoisotopic Mass 1184.55560
InChI InChI=1S/C65H84O20/c1-32-12-10-14-42-20-38(28-66)34(3)21-62(42)51(74)45(55(78)82-62)43(70)15-18-60(8)26-40(30-68)37(6)24-65(60)54(77)48(58(81)85-65)50(73)33(2)13-11-17-59(7)25-39(29-67)35(4)22-63(59)52(75)46(56(79)83-63)44(71)16-19-61(9)27-41(31-69)36(5)23-64(61)53(76)47(49(32)72)57(80)84-64/h10-20,25-27,30,34-37,42-50,55-58,66-67,69-73,78-81H,21-24,28-29,31H2,1-9H3
InChIKey IFVBSECCTMNWNV-UHFFFAOYSA-N
SMILES O=C1C23OC(C1C(O)C(=CC=CC4(C=C(C(C)CC45OC(O)C(C5=O)C(O)C=CC6(C=C(C(C)CC67OC(C(C(C(=CC=CC8C9(C(C(C(C=CC2(C=C(C=O)C(C3)C)C)O)C(O9)O)=O)CC(C)C(=C8)CO)C)O)C7=O)O)CO)C)CO)C)C)O
Metabolite of Species Details
Amycolatopsis (NCBI:txid1813) See: PubMed
ChEBI Ontology
Outgoing Quartromicin D2 (CHEBI:197805) is a triterpenoid (CHEBI:36615)
IUPAC Name
9,11,23,25,35,37,49,51-octahydroxy-16,30,42-tris(hydroxymethyl)-3,6,15,22,29,32,41,44,48-nonamethyl-53,54,55,56-tetraoxo-12,26,38,52-tetraoxanonacyclo[48.2.1.110,13.124,27.136,39.01,6.013,18.027,32.039,44]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-4-carbaldehyde