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CHEBI:211490 - Terpendole A

ChEBI IDCHEBI:211490
ChEBI NameTerpendole A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO6
Net Charge0
Average Mass535.681
Monoisotopic Mass535.29339
SMILESCC1(C)OC1[C@@H]1O[C@H]2[C@@H](O[C@@H]3CC[C@]4(C)[C@](O)(CC[C@@H]5Cc6c(nc7ccccc67)[C@]54C)[C@@]34O[C@@H]24)C(C)(C)O1
InChIInChI=1S/C32H41NO6/c1-27(2)23-21(36-26(39-27)25-28(3,4)37-25)24-32(38-24)20(35-23)12-13-29(5)30(6)16(11-14-31(29,32)34)15-18-17-9-7-8-10-19(17)33-22(18)30/h7-10,16,20-21,23-26,33-34H,11-15H2,1-6H3/t16-,20-,21+,23-,24+,25?,26-,29+,30+,31-,32-/m1/s1
InChIKeyXTBDVXSMPXFDAU-NYBSUTBHSA-N
Species of MetaboliteComponentSourceComments
Albophoma yamanashiensis (ncbitaxon:1635095) - PubMed (7868384)
ChEBI Ontology
Outgoing Relation(s)
Terpendole A (CHEBI:211490) is a organic heterotricyclic compound (CHEBI:26979)
Terpendole A (CHEBI:211490) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,13R,16R,17R,19S,20S,22R,25R,27R)-22-(3,3-dimethyloxiran-2-yl)-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol
Manual XrefsDatabases
78438521ChemSpider