CHEBI:220797 - Kosinostatin

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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 Kosinostatin
ChEBI ID CHEBI:220797
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H32N2O10
Net Charge 0
Average Mass 616.623
Monoisotopic Mass 616.20570
InChI InChI=1S/C33H32N2O10/c1-13(36)33(42)14(2)43-22(10-21(33)38)44-29-18-9-17-25(26(39)16-5-4-6-20(37)24(16)27(17)40)28(41)23(18)19-12-31(29,3)45-32(19)11-15-7-8-34-30(15)35-32/h4-6,9,11,14,19,21-22,29,37-38,41-42H,7-8,10,12H2,1-3H3,(H,34,35)/t14-,19-,21+,22-,29+,31+,32+,33+/m0/s1
InChIKey IWQFYWITNQDEGF-LXJOWWJISA-N
SMILES O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](O[C@@H]5O[C@H]([C@](O)(C(=O)C)[C@@H](C5)O)C)[C@@]6(O[C@]7([C@H](C4=C3O)C6)NC8=NCCC8=C7)C
Metabolite of Species Details
Micromonosporaspecies TP-A0468 (NCBI:txid1182970) See: PubMed
ChEBI Ontology
Outgoing Kosinostatin (CHEBI:220797) is a quinone (CHEBI:36141)
Kosinostatin (CHEBI:220797) is a tetracenes (CHEBI:51270)
IUPAC Name
(1S,16R,17R,19R)-16-[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,10-dihydroxy-17-methylspiro[18-oxapentacyclo[15.2.1.02,15.04,13.06,11]icosa-2,4(13),6(11),7,9,14-hexaene-19,5'-3,6-dihydro-2H-pyrrolo[2,3-b]pyrrole]-5,12-dione
Manual Xref Database
59700798 ChemSpider
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