CHEBI:227601 - Laxitextine 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 Laxitextine A
ChEBI ID CHEBI:227601
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O6
Net Charge 0
Average Mass 434.573
Monoisotopic Mass 434.26684
InChI InChI=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
InChIKey PYPUSSXUEHUWKP-CJIXVPKDSA-N
SMILES O1[C@]2(O)[C@@]3(O)[C@@H](OC[C@H]2O)O[C@H]4[C@H]3[C@@H](C1)CC[C@@H]5C6=C(C(C)C)CC[C@]6(C)CC[C@@]45C
Metabolite of Species Details
Laxitextum incrustatum (NCBI:txid1812024) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78443315 ChemSpider
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