CHEBI:201120 - Coloradocin

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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 Coloradocin
ChEBI ID CHEBI:201120
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H38O12
Net Charge 0
Average Mass 614.644
Monoisotopic Mass 614.23633
InChI InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3
InChIKey UGSGHHXIPUAOBJ-UHFFFAOYSA-N
SMILES O=C1OCC2C=C(C34OC5C(C)C(C3C(C=CC4CC(C(OC2C(O)COC=CC6=C(CC1)C(=O)OC6=O)=O)OC)C5)O)C
Metabolite of Species Details
Actinoplanes (NCBI:txid1865) See: PubMed
ChEBI Ontology
Outgoing Coloradocin (CHEBI:201120) has functional parent tetracarboxylic acid (CHEBI:35742)
Coloradocin (CHEBI:201120) is a organooxygen compound (CHEBI:36963)
IUPAC Name
19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone