CHEBI:215217 - Hericinoid B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hericinoid B
ChEBI ID CHEBI:215217
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O6
Net Charge 0
Average Mass 444.568
Monoisotopic Mass 444.25119
InChI InChI=1S/C26H36O6/c1-13(2)14-8-9-23(3)10-11-24(4)16(17(14)23)7-6-15-18-19(24)30-22-26(18,27)21-25(28-5,12-29-22)32-20(15)31-21/h6,13,16,18-22,27H,7-12H2,1-5H3/t16-,18-,19+,20-,21+,22+,23-,24-,25+,26-/m1/s1
InChIKey PADCEGVGPLXTGK-SGDDOHGBSA-N
SMILES O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)CC[C@]5(C)CC4)CC=C6[C@H]3[C@@]2(O)[C@H]7O[C@@H]6O[C@]7(C1)OC)C
Metabolite of Species Details
Hericium erinaceus (NCBI:txid91752) See: DOI
ChEBI Ontology
Outgoing Hericinoid B (CHEBI:215217) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,5R,10R,13R,14S,16S,19S,21R,23R,24R)-19-methoxy-10,13-dimethyl-7-propan-2-yl-15,17,20,22-tetraoxaheptacyclo[12.10.0.02,21.05,13.06,10.016,24.019,23]tetracosa-2,6-dien-24-ol