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CHEBI:217043 - Aureochaeglobosin B

ChEBI IDCHEBI:217043
ChEBI NameAureochaeglobosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H54N2O7
Net Charge0
Average Mass734.934
Monoisotopic Mass734.39310
SMILESCC=CC=C[C@@H]1CO[C@H]([C@@H]2C=CC[C@@H]3C(=O)[C@@]45C(=O)N[C@@H](Cc6cnc7ccccc67)[C@@H]4C(C)=C(C)[C@@H](O)[C@@H]5C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)[C@@H]23)[C@H]1O
InChIInChI=1S/C45H54N2O7/c1-6-7-8-14-28-23-54-42(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/h6-12,14-16,18-20,22,24,28,31-33,35-40,42,46,48-50H,13,17,21,23H2,1-5H3,(H,47,53)/t24-,28+,31+,32-,33-,35-,36-,37-,38+,39+,40-,42+,45-/m0/s1
InChIKeyAUIOVNKQUJTUHX-BSAQWNSPSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (29771535)
ChEBI Ontology
Outgoing Relation(s)
Aureochaeglobosin B (CHEBI:217043) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,3S,7R,8S,10R,13S,17R,18S,21R,22S)-10,18-dihydroxy-7-[(2R,3S,4R)-3-hydroxy-4-penta-1,3-dienyloxolan-2-yl]-22-(1H-indol-3-ylmethyl)-11,13,19,20-tetramethyl-23-azatetracyclo[15.7.0.01,21.03,8]tetracosa-5,11,15,19-tetraene-2,9,24-trione