CHEBI:211490 - Terpendole A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Terpendole A
ChEBI ID CHEBI:211490
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H41NO6
Net Charge 0
Average Mass 535.681
Monoisotopic Mass 535.29339
InChI InChI=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
InChIKey XTBDVXSMPXFDAU-NYBSUTBHSA-N
SMILES O1C([C@@H]2O[C@H]3[C@]4([C@]5(O)[C@@]([C@@]6(C=7NC=8C=CC=CC8C7C[C@H]6CC5)C)(C)CC3)[C@H]([C@H]2O[C@H]1C9OC9(C)C)O4)(C)C
Metabolite of Species Details
Albophoma yamanashiensis (NCBI:txid1635095) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438521 ChemSpider
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