CHEBI:181951 - 13-Desoxyterpendole I

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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 13-Desoxyterpendole I
ChEBI ID CHEBI:181951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H35NO4
Net Charge 0
Average Mass 437.580
Monoisotopic Mass 437.25661
InChI InChI=1S/C27H35NO4/c1-24(2,30)22-20(29)23-27(32-23)18-10-9-14-13-16-15-7-5-6-8-17(15)28-21(16)26(14,4)25(18,3)12-11-19(27)31-22/h5-8,14,18-20,22-23,28-30H,9-13H2,1-4H3/t14-,18+,19-,20+,22-,23+,25-,26+,27-/m0/s1
InChIKey HQCFFTUWLGPTOV-AUKBYRCRSA-N
SMILES O1[C@]23[C@]4([C@@]([C@@]5([C@@](CC4)(CC6=C5NC=7C6=CC=CC7)[H])C)(CC[C@@]3(O[C@@]([C@@H](O)[C@@]12[H])(C(O)(C)C)[H])[H])C)[H]
ChEBI Ontology
Outgoing 13-Desoxyterpendole I (CHEBI:181951) is a organic heterotricyclic compound (CHEBI:26979)
13-Desoxyterpendole I (CHEBI:181951) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,5S,7S,8R,9R,11S,12R,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraen-8-ol
Manual Xrefs Databases
30790761 ChemSpider
C20542 KEGG COMPOUND
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