CHEBI:205667 - Phomactin B2

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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 Phomactin B2
ChEBI ID CHEBI:205667
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-12-7-6-9-20(5)18(23-20)17(22)15-11-16(21)14(3)19(4,10-8-12)13(15)2/h7,11,14,16,18,21H,2,6,8-10H2,1,3-5H3/b12-7+/t14-,16+,18-,19-,20-/m1/s1
InChIKey VHPDNWQKZMURPV-SXTALHNFSA-N
SMILES O=C1C=2C(=C)[C@]([C@H](C)[C@H](C2)O)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: DOI
ChEBI Ontology
Outgoing Phomactin B2 (CHEBI:205667) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3S,5R,8E,12S,13S,14S)-14-hydroxy-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
Manual Xref Database
8217028 ChemSpider
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