CHEBI:202221 - 11-Epiterpestacin

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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 11-Epiterpestacin
ChEBI ID CHEBI:202221
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O4
Net Charge 0
Average Mass 402.575
Monoisotopic Mass 402.27701
InChI InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21-,25+/m1/s1
InChIKey UTGBBPSEQPITLF-GFHAHZORSA-N
SMILES O=C1C(O)=C([C@@H](CO)C)[C@@H]2[C@@]1(CC=C(CCC=C(C)CC[C@H](C(=CC2)C)O)C)C
Metabolite of Species Details
Bipolaris sorokiniana (NCBI:txid45130) See: PubMed
ChEBI Ontology
Outgoing 11-Epiterpestacin (CHEBI:202221) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,3Z,5R,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
Manual Xref Database
13183678 ChemSpider
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