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CHEBI:213709 - Asperindole D

ChEBI IDCHEBI:213709
ChEBI NameAsperindole D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H39NO8
Net Charge0
Average Mass577.674
Monoisotopic Mass577.26757
SMILESCC(=O)OC(C)(C)C(=O)O[C@@]1(C)CO[C@@]23CC[C@@]4(C)[C@@](O)(CC[C@H]5Cc6c(nc7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3
InChIInChI=1S/C33H39NO8/c1-18(35)40-28(2,3)27(37)42-29(4)17-39-33-14-13-30(5)31(6)19(15-21-20-9-7-8-10-22(20)34-25(21)31)11-12-32(30,38)24(33)16-23(36)26(29)41-33/h7-10,16,19,26,34,38H,11-15,17H2,1-6H3/t19-,26-,29-,30+,31+,32+,33+/m0/s1
InChIKeyZUKZDCPDVNVZEK-PNPWAEHXSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (29987238)
ChEBI Ontology
Outgoing Relation(s)
Asperindole D (CHEBI:213709) is a organic heterotricyclic compound (CHEBI:26979)
Asperindole D (CHEBI:213709) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4R,5S,16S,19S,23R,24S)-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaen-24-yl] 2-acetyloxy-2-methylpropanoate
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