EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210517 - 3'-epi-5'-methoxy-K252d

ChEBI IDCHEBI:210517
ChEBI Name3'-epi-5'-methoxy-K252d
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25N3O5
Net Charge0
Average Mass471.513
Monoisotopic Mass471.17942
SMILESCO[C@@H]1[C@H](O)[C@H](O)[C@H](C)O[C@H]1n1c2ccccc2c2c3c(c4c5ccccc5nc4c21)CNC3=O
InChIInChI=1S/C27H25N3O5/c1-12-23(31)24(32)25(34-2)27(35-12)30-17-10-6-4-8-14(17)19-20-15(11-28-26(20)33)18-13-7-3-5-9-16(13)29-21(18)22(19)30/h3-10,12,23-25,27,29,31-32H,11H2,1-2H3,(H,28,33)/t12-,23+,24+,25+,27+/m0/s1
InChIKeyIDMZDDZGWSSSQT-VTGNNDLQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30268972)
ChEBI Ontology
Outgoing Relation(s)
3'-epi-5'-methoxy-K252d (CHEBI:210517) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
3-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]-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-nonaen-12-one
Manual XrefsDatabases
71266944ChemSpider