CHEBI:206992 - AT2433-B2

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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 AT2433-B2
ChEBI ID CHEBI:206992
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H34N4O9
Net Charge 0
Average Mass 630.654
Monoisotopic Mass 630.23258
InChI InChI=1S/C33H34N4O9/c1-36-31(41)24-22-14-7-3-5-9-17(14)35-26(22)27-23(25(24)32(36)42)15-8-4-6-10-18(15)37(27)33-29(40)28(39)30(43-2)20(46-33)13-45-21-11-19(38)16(34)12-44-21/h3-10,16,19-21,28-30,33,35,38-40H,11-13,34H2,1-2H3
InChIKey BPQSCNQWKTWUJX-UHFFFAOYSA-N
SMILES O=C1N(C(=O)C2=C1C3=C(N(C4OC(C(OC)C(C4O)O)COC5OCC(N)C(C5)O)C6=C3C=CC=C6)C7=C2C8=C(C=CC=C8)N7)C
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
ChEBI Ontology
Outgoing AT2433-B2 (CHEBI:206992) is a indolocarbazole (CHEBI:51915)
IUPAC Name
3-[6-[(5-amino-4-hydroxyoxan-2-yl)oxymethyl]-3,4-dihydroxy-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
Manual Xref Database
78444678 ChemSpider
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