CHEBI:199883 - Pyrindamycin 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 Pyrindamycin A
ChEBI ID CHEBI:199883
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H26ClN3O8
Net Charge 0
Average Mass 543.960
Monoisotopic Mass 543.14084
InChI InChI=1S/C26H26ClN3O8/c1-26(25(34)38-5)23(32)18-17-12(9-27)10-30(14(17)8-15(31)20(18)29-26)24(33)13-6-11-7-16(35-2)21(36-3)22(37-4)19(11)28-13/h6-8,12,28-29,31H,9-10H2,1-5H3/t12-,26-/m1/s1
InChIKey BOGFADYROAVVTF-MZHQLVBMSA-N
SMILES ClC[C@H]1C2=C3C(N[C@](C3=O)(C(=O)OC)C)=C(O)C=C2N(C1)C(=O)C=4NC=5C(OC)=C(OC)C(=CC5C4)OC
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Pyrindamycin A (CHEBI:199883) is a α-amino acid ester (CHEBI:46874)
IUPAC Name
methyl (2R,8S)-8-(chloromethyl)-4-hydroxy-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Manual Xref Database
129842 ChemSpider
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