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CHEBI:215521 - Resinacein D

Default Structure
ChEBI IDCHEBI:215521
ChEBI NameResinacein D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESC/C(=C\CC[C@@H](C)C1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O
InChIInChI=1S/C30H46O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,21-23,32-33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,19?,21-,22?,23+,28+,29+,30-/m1/s1
InChIKeyQBAAQLPBKJNUHF-YOZTVSFCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (29490285)
ChEBI Ontology
Outgoing Relation(s)
Resinacein D (CHEBI:215521) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3S,10S,11R,13R,14R)-3,11-dihydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78442394ChemSpider