CHEBI:197799 - Jadomycin Ala

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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 Jadomycin Ala
ChEBI ID CHEBI:197799
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H25NO9
Net Charge 0
Average Mass 507.495
Monoisotopic Mass 507.15293
InChI InChI=1S/C27H25NO9/c1-10-7-14-19(15(29)8-10)21-22(28-11(2)27(34)37-26(14)28)25(33)20-13(24(21)32)5-4-6-17(20)36-18-9-16(30)23(31)12(3)35-18/h4-8,11-12,16,18,23,26,29-31H,9H2,1-3H3/t11-,12-,16+,18-,23-,26-/m0/s1
InChIKey RZOHWPFQSWBZBM-XPRNDFBXSA-N
SMILES O=C1C=2N3[C@@H](OC([C@@H]3C)=O)C=4C=C(C)C=C(C4C2C(=O)C=5C1=C(O[C@@H]6O[C@H]([C@H](O)[C@@H](C6)O)C)C=CC5)O
Metabolite of Species Details
Streptomyces venezuelae ATCC 10712 (NCBI:txid953739) See: PubMed
ChEBI Ontology
Outgoing Jadomycin Ala (CHEBI:197799) is a phenanthridines (CHEBI:51245)
IUPAC Name
(3S,6S)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-3,9-dimethyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
Manual Xref Database
78436275 ChemSpider
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