EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227601 - Laxitextine A

ChEBI IDCHEBI:227601
ChEBI NameLaxitextine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O6
Net Charge0
Average Mass434.573
Monoisotopic Mass434.26684
SMILESCC(C)C1=C2[C@H]3CC[C@@H]4CO[C@@]5(O)[C@H](O)CO[C@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C25H38O6/c1-13(2)15-7-8-22(3)9-10-23(4)16(19(15)22)6-5-14-11-30-25(28)17(26)12-29-21-24(25,27)18(14)20(23)31-21/h13-14,16-18,20-21,26-28H,5-12H2,1-4H3/t14-,16-,17-,18-,20+,21+,22-,23-,24+,25+/m1/s1
InChIKeyPYPUSSXUEHUWKP-CJIXVPKDSA-N
Species of MetaboliteComponentSourceComments
Laxitextum incrustatum (ncbitaxon:1812024) - PubMed (27043217)
ChEBI Ontology
Outgoing Relation(s)
Laxitextine A (CHEBI:227601) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,5R,10R,13S,16S,17R,20S,21S,22R)-2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricos-8-ene-16,17,21-triol
Manual XrefsDatabases
78443315ChemSpider