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CHEBI:224754 - Phellibarin D

ChEBI IDCHEBI:224754
ChEBI NamePhellibarin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O4
Net Charge0
Average Mass486.737
Monoisotopic Mass486.37091
SMILESC=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@H]3C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C)C(C)C
InChIInChI=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
InChIKeyTYWVGHJFBRRSAC-BOGMEMAHSA-N
Species of MetaboliteComponentSourceComments
Phellinus rhabarbarinus (ncbitaxon:183307) - DOI (10.1016/j.tetlet.2016.06.114)
ChEBI Ontology
Outgoing Relation(s)
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
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78441417ChemSpider