CHEBI:199184 - TMC-66

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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 TMC-66
ChEBI ID CHEBI:199184
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H21NO9
Net Charge 0
Average Mass 527.485
Monoisotopic Mass 527.12163
InChI InChI=1S/C29H21NO9/c1-29-9-13-7-11-5-6-12-8-15-22(23(32)14-3-2-4-17(31)21(14)24(15)33)26(35)19(12)18(11)25(34)20(13)27(36)30(29)16(10-39-29)28(37)38/h2-4,7-8,16,31,34-35H,5-6,9-10H2,1H3,(H,37,38)/t16-,29-/m1/s1
InChIKey IBUAONLWVYWMIS-HYDGNGQDSA-N
SMILES O=C1N2[C@](OC[C@@H]2C(=O)O)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)=CC=C7)C(C6C=C5CCC4C3)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing TMC-66 (CHEBI:199184) is a quinone (CHEBI:36141)
TMC-66 (CHEBI:199184) is a tetracenes (CHEBI:51270)
IUPAC Name
(7R,10R)-3,22,29-trihydroxy-10-methyl-5,20,27-trioxo-9-oxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(29),2,4(12),13,17,19(28),21(26),22,24-nonaene-7-carboxylic acid
Manual Xref Database
8967556 ChemSpider
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