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CHEBI:215211 - Hericinoid A

ChEBI IDCHEBI:215211
ChEBI NameHericinoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O7
Net Charge0
Average Mass448.556
Monoisotopic Mass448.24610
SMILESCC(C)[C@]12CC[C@]3(C)CC[C@@]4(C)[C@H]5O[C@@H]6OC[C@]7(O)[C@H](O)C(=CC[C@@H]4[C@@]31O2)[C@H]5[C@@]6(O)[C@H]7O
InChIInChI=1S/C25H36O7/c1-12(2)23-10-8-20(3)7-9-21(4)14(25(20,23)32-23)6-5-13-15-17(21)31-19-24(15,29)18(27)22(28,11-30-19)16(13)26/h5,12,14-19,26-29H,6-11H2,1-4H3/t14-,15+,16+,17-,18-,19-,20-,21+,22-,23+,24+,25+/m0/s1
InChIKeyRPGNTFOOTHCMMB-PYNPQNLOSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.phytol.2018.07.006)
ChEBI Ontology
Outgoing Relation(s)
Hericinoid A (CHEBI:215211) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4S,5R,7R,10S,13R,14S,16S,19S,20S,21R,22R,23R)-10,13-dimethyl-7-propan-2-yl-6,15,17-trioxaheptacyclo[17.3.1.04,13.05,7.05,10.014,22.016,21]tricos-1-ene-19,20,21,23-tetrol