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CHEBI:217047 - Aureochaeglobosin C

ChEBI IDCHEBI:217047
ChEBI NameAureochaeglobosin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H54N2O7
Net Charge0
Average Mass734.934
Monoisotopic Mass734.39310
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@]23C(=O)[C@H]2CC=C[C@@H]([C@H]4OC[C@@H](C=CC=CC)[C@@H]4O)[C@@H]2C(=O)[C@H](O)C(C)=C[C@@H](C)CC=C[C@H]3[C@@H]1O
InChIInChI=1S/C45H54N2O7/c1-6-7-8-14-28-23-54-42(40(28)50)31-16-12-17-32-36(31)41(51)38(48)25(3)20-24(2)13-11-18-33-39(49)27(5)26(4)37-35(47-44(53)45(33,37)43(32)52)21-29-22-46-34-19-10-9-15-30(29)34/h6-12,14-16,18-20,22,24,26,28,31-33,35-40,42,46,48-50H,5,13,17,21,23H2,1-4H3,(H,47,53)/t24-,26+,28+,31+,32-,33-,35-,36-,37-,38+,39+,40-,42+,45-/m0/s1
InChIKeyNPKFMZBXJULNIQ-AOSFQBFNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (29771535)
ChEBI Ontology
Outgoing Relation(s)
Aureochaeglobosin C (CHEBI:217047) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,3S,7R,8S,10R,13S,17R,18S,20S,21R,22S)-10,18-dihydroxy-7-[(2R,3S,4R)-3-hydroxy-4-penta-1,3-dienyloxolan-2-yl]-22-(1H-indol-3-ylmethyl)-11,13,20-trimethyl-19-methylidene-23-azatetracyclo[15.7.0.01,21.03,8]tetracosa-5,11,15-triene-2,9,24-trione