CHEBI:210290 - Terpestacin B

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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 Terpestacin B
ChEBI ID CHEBI:210290
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O5
Net Charge 0
Average Mass 418.574
Monoisotopic Mass 418.27192
InChI InChI=1S/C25H38O5/c1-15-6-9-20(27)25(5)13-11-19(30-25)16(2)7-8-18-21(17(3)14-26)22(28)23(29)24(18,4)12-10-15/h7,10,17-20,26-28H,6,8-9,11-14H2,1-5H3/b15-10+,16-7+/t17-,18-,19+,20+,24+,25-/m1/s1
InChIKey LAJNGEKHZMZDRF-ZPIROSACSA-N
SMILES O=C1C(O)=C([C@@H](CO)C)[C@@H]2[C@@]1(CC=C(CC[C@H](O)[C@@]3(O[C@H](C(=CC2)C)CC3)C)C)C
Metabolite of Species Details
Arthrinium (NCBI:txid112177) See: DOI
ChEBI Ontology
Outgoing Terpestacin B (CHEBI:210290) is a oxolanes (CHEBI:26912)
IUPAC Name
(1S,2E,5R,9S,11E,15S,16R)-7,15-dihydroxy-6-[(2S)-1-hydroxypropan-2-yl]-2,9,12,16-tetramethyl-19-oxatricyclo[14.2.1.05,9]nonadeca-2,6,11-trien-8-one
Manual Xref Database
75320577 ChemSpider
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