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CHEBI:214982 - 3′-N-formyl-holyrine A

ChEBI IDCHEBI:214982
ChEBI Name3′-N-formyl-holyrine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H24N4O4
Net Charge0
Average Mass468.513
Monoisotopic Mass468.17976
SMILESC[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6nc5c32)CNC4=O)C[C@@H](NC=O)[C@H]1O
InChIInChI=1S/C27H24N4O4/c1-13-26(33)18(29-12-32)10-20(35-13)31-19-9-5-3-7-15(19)22-23-16(11-28-27(23)34)21-14-6-2-4-8-17(14)30-24(21)25(22)31/h2-9,12-13,18,20,26,30,33H,10-11H2,1H3,(H,28,34)(H,29,32)/t13-,18+,20+,26-/m0/s1
InChIKeyPWDMDSRARYDKBY-VCPAMCLESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.phytol.2017.11.002)
ChEBI Ontology
Outgoing Relation(s)
3′-N-formyl-holyrine A (CHEBI:214982) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
N-[(2S,3R,4R,6R)-3-hydroxy-2-methyl-6-(12-oxo-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-3-yl)oxan-4-yl]ormamide