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CHEBI:203700 - Gloeophyllin A

ChEBI IDCHEBI:203700
ChEBI NameGloeophyllin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C[C@H]2C1=C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC3)C(C)C
InChIInChI=1S/C30H46O3/c1-17(2)18(3)8-9-19(4)21-10-11-22-23-12-13-26-29(6,25(23)16-24(22)20(21)5)15-14-27(31)30(26,7)28(32)33/h17,19,21-22,24,26-27,31H,3,5,8-16H2,1-2,4,6-7H3,(H,32,33)/t19-,21-,22+,24+,26-,27+,29-,30+/m1/s1
InChIKeyNKDDWRFPMADJKX-XSHRGJNRSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum abietinum (ncbitaxon:180171) - PubMed (25915800)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin A (CHEBI:203700) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(3S,4S,4aR,6bR,9R,10aR,11bS)-3-hydroxy-4,11b-dimethyl-10-methylidene-9-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4a,5,6,6b,7,8,9,10a,11-dodecahydrobenzo[a]luorene-4-carboxylic acid