CHEBI:226375 - methyl Lucidenate Ha

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 methyl Lucidenate Ha
ChEBI ID CHEBI:226375
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O7
Net Charge 0
Average Mass 490.637
Monoisotopic Mass 490.29305
InChI InChI=1S/C28H42O7/c1-15(7-8-22(34)35-6)16-11-21(33)28(5)24-17(30)12-19-25(2,10-9-20(32)26(19,3)14-29)23(24)18(31)13-27(16,28)4/h15-17,19-20,29-30,32H,7-14H2,1-6H3/t15-,16-,17+,19?,20+,25+,26-,27-,28+/m1/s1
InChIKey BLYISEBTSCBMSM-FJHPKMJMSA-N
SMILES O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CCC(=O)OC)C)C)[C@@H](O)CC4[C@@]2(CC[C@@H]([C@@]4(CO)C)O)C
Metabolite of Species Details
Ganoderma sinense (NCBI:txid36075) See: PubMed
ChEBI Ontology
Outgoing methyl Lucidenate Ha (CHEBI:226375) is a triterpenoid (CHEBI:36615)
IUPAC Name
methyl (4R)-4-[(3S,4S,7S,10S,13R,14R,17R)-3,7-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Manual Xref Database
78441236 ChemSpider
View more database links