CHEBI:219002 - Crisamicin A

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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 Crisamicin A
ChEBI ID CHEBI:219002
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H22O12
Net Charge 0
Average Mass 598.516
Monoisotopic Mass 598.11113
InChI InChI=1S/C32H22O12/c1-9-21-25(31-17(41-9)7-19(35)43-31)29(39)23-13(27(21)37)3-11(5-15(23)33)12-4-14-24(16(34)6-12)30(40)26-22(28(14)38)10(2)42-18-8-20(36)44-32(18)26/h3-6,9-10,17-18,31-34H,7-8H2,1-2H3
InChIKey IPAXVRZEFNMCLP-UHFFFAOYSA-N
SMILES O=C1C2=C(C(=O)C3=C1C(OC4C3OC(=O)C4)C)C(O)=CC(=C2)C5=CC(O)=C6C(=O)C=7C8OC(=O)CC8OC(C7C(C6=C5)=O)C
Metabolite of Species Details
Micromonospora purpureochromogenes (NCBI:txid47872) See: PubMed
ChEBI Ontology
Outgoing Crisamicin A (CHEBI:219002) is a lactone (CHEBI:25000)
Crisamicin A (CHEBI:219002) is a lignan (CHEBI:25036)
IUPAC Name
7-hydroxy-5-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Manual Xref Database
302855 ChemSpider
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