CHEBI:222835 - Enduracyclinone B

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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 Enduracyclinone B
ChEBI ID CHEBI:222835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H32N4O12
Net Charge 0
Average Mass 712.668
Monoisotopic Mass 712.20167
InChI InChI=1S/C36H32N4O12/c1-12-6-16-24(34(47)40(12)19(35(48)49)7-13-11-39(2)36(37)38-13)30(46)22-15-10-18-23(29(45)21-17(27(18)43)8-14(41)9-20(21)42)31(50-3)25(15)32(51-4)33(52-5)26(22)28(16)44/h8-10,12-13,19,41-42H,6-7,11H2,1-5H3,(H2,37,38)(H,48,49)
InChIKey HUBPYNKCZCEPMK-UHFFFAOYSA-N
SMILES O=C1N(C(CC2=C1C(=O)C3=C(C(OC)=C(OC)C=4C3=CC=5C(=O)C=6C=C(O)C=C(C6C(C5C4OC)=O)O)C2=O)C)C(C(=O)O)CC7N=C(N)N(C7)C
Metabolite of Species Details
Nonomuraeaspecies (NCBI:txid1883105) See: PubMed
ChEBI Ontology
Outgoing Enduracyclinone B (CHEBI:222835) is a quinone (CHEBI:36141)
Enduracyclinone B (CHEBI:222835) is a tetracenes (CHEBI:51270)
IUPAC Name
3-(2-amino-1-methyl-4,5-dihydroimidazol-4-yl)-2-(19,21-dihydroxy-12,13,15-trimethoxy-7-methyl-3,5,10,17,24-pentaoxo-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(26),2(11),4(9),12,14,16(25),18(23),19,21-nonaen-6-yl)propanoic acid