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CHEBI:217036 - Aureochaeglobosin A

ChEBI IDCHEBI:217036
ChEBI NameAureochaeglobosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H54N2O7
Net Charge0
Average Mass734.934
Monoisotopic Mass734.39310
SMILESC/C=C/C=C/[C@@H]1CO[C@H]([C@@H]2C=CC[C@@H]3C(=O)[C@@]45C(=O)N[C@@H](Cc6cnc7ccccc67)[C@@H]4[C@H](C)[C@@]4(C)O[C@H]4[C@@H]5/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)[C@@H]23)[C@H]1O
InChIInChI=1S/C45H54N2O7/c1-6-7-8-14-27-23-53-40(38(27)49)30-16-12-17-31-35(30)39(50)37(48)25(3)20-24(2)13-11-18-32-42-44(5,54-42)26(4)36-34(47-43(52)45(32,36)41(31)51)21-28-22-46-33-19-10-9-15-29(28)33/h6-12,14-16,18-20,22,24,26-27,30-32,34-38,40,42,46,48-49H,13,17,21,23H2,1-5H3,(H,47,52)/b7-6+,14-8+,18-11+,25-20+/t24-,26-,27+,30+,31-,32-,34-,35-,36-,37+,38-,40+,42-,44+,45-/m0/s1
InChIKeyWAKBAVPLHLJHKP-UBZNKHGNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (29771535)
ChEBI Ontology
Outgoing Relation(s)
Aureochaeglobosin A (CHEBI:217036) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,3S,7R,8S,10R,11E,13S,15E,17R,18S,20R,21S,22R,23S)-10-hydroxy-7-[(2R,3S,4R)-3-hydroxy-4-[(1E,3E)-penta-1,3-dienyl]oxolan-2-yl]-23-(1H-indol-3-ylmethyl)-11,13,20,21-tetramethyl-19-oxa-24-azapentacyclo[15.8.0.01,22.03,8.018,20]pentacosa-5,11,15-triene-2,9,25-trione
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78441761ChemSpider