CHEBI:221605 - Albofungin 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 Albofungin A
ChEBI ID CHEBI:221605
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H22N2O9
Net Charge 0
Average Mass 506.467
Monoisotopic Mass 506.13253
InChI InChI=1S/C26H22N2O9/c1-8-4-9-5-10-6-13-17-18(14(10)20(31)15(9)26(34)28(8)27)22(33)19-21(32)16-11(29)2-3-12(30)23(16)37-25(19)24(17)36-7-35-13/h4-5,11-13,29-31,33H,2-3,6-7,27H2,1H3/t11-,12+,13+/m0/s1
InChIKey KALFNUGKWWYZGJ-YNEHKIRRSA-N
SMILES O=C1N(N)C(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C([C@H](O)CC[C@@H]6O)OC5C7=C4[C@H](OCO7)CC3C2)C
Metabolite of Species Details
Streptomyces chrestomyceticus (NCBI:txid68185) See: PubMed
ChEBI Ontology
Outgoing Albofungin A (CHEBI:221605) is a diterpenoid (CHEBI:23849)
IUPAC Name
(13R,21R,24S)-6-amino-3,21,24,28-tetrahydroxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione