Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:09:09 UTC
Update Date2022-12-15 22:51:43 UTC
Metabolite IDMMDBc0005626
Metabolite Identification
Common NameGanodermanontriol
DescriptionGanodermanontriol, also known as GNDT triterpene, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on Ganodermanontriol.
Structure
Synonyms
ValueSource
GNDT TriterpeneMeSH
Molecular FormulaC30H48O4
Average Mass472.71
Monoisotopic Mass472.355260026
IUPAC Name(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-5-one
Traditional Name(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-5-one
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(CC[C@]([H])(O)C(C)(O)CO)[C@@]1([H])CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChI Identifier
InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30?/m1/s1
InChI KeyKASALCUNLBTNAA-VIKWRQSJSA-N