CHEBI:224754 - Phellibarin D

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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 Phellibarin D
ChEBI ID CHEBI:224754
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H50O4
Net Charge 0
Average Mass 486.737
Monoisotopic Mass 486.37091
InChI InChI=1S/C31H50O4/c1-18(2)19(3)16-23(32)20(4)21-10-12-30(9)26(34)22-17-24-27(5,6)25(33)11-13-29(24,8)31(22,35)15-14-28(21,30)7/h18,20-24,32,35H,3,10-17H2,1-2,4-9H3/t20-,21+,22+,23+,24-,28+,29-,30-,31+/m0/s1
InChIKey TYWVGHJFBRRSAC-BOGMEMAHSA-N
SMILES O=C1[C@]2([C@@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC2)(CC[C@]3([C@@H]1C[C@H]4C(C(=O)CC[C@]34C)(C)C)O)C)C
Metabolite of Species Details
Phellinus rhabarbarinus (NCBI:txid183307) See: DOI
ChEBI Ontology
Outgoing Phellibarin D (CHEBI:224754) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,3R,6R,7R,10R,11S,16R)-10-hydroxy-6-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-3,7,11,15,15-pentamethyltetracyclo[8.7.0.03,7.011,16]heptadecane-2,14-dione
Manual Xref Database
78441417 ChemSpider
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