CHEBI:213546 - Phellinignin C

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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 Phellinignin C
ChEBI ID CHEBI:213546
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O3
Net Charge 0
Average Mass 280.408
Monoisotopic Mass 280.20384
InChI InChI=1S/C17H28O3/c1-11-5-6-13(10-20-12(2)19)16(9-18)15-8-17(3,4)7-14(11)15/h11,13-14,18H,5-10H2,1-4H3/t11-,13+,14-/m1/s1
InChIKey RHSQEGAGULETNQ-KWCYVHTRSA-N
SMILES O=C(OC[C@H]1C(=C2[C@H](CC(C2)(C)C)[C@@H](CC1)C)CO)C
Metabolite of Species Details
Phellinus igniarius (NCBI:txid40472) See: PubMed
ChEBI Ontology
Outgoing Phellinignin C (CHEBI:213546) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(5R,8R,8aR)-4-(hydroxymethyl)-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methyl acetate