CHEBI:207755 - CJ-15544

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 CJ-15544
ChEBI ID CHEBI:207755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O6
Net Charge 0
Average Mass 430.541
Monoisotopic Mass 430.23554
InChI InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-19,21,26,28-29H,6-11H2,1-4H3/t15-,17-,18-,19+,21+,22-,23-,24-,25-/m1/s1
InChIKey YHVXQLPNJVSDTP-STELTMMHSA-N
SMILES O=C1[C@]2(O)[C@H](O)C3=CC[C@H]4[C@]([C@@H]5[C@@H]3[C@]1(O)[C@H](O5)OC2)(CC[C@@]6(C4=C(C(C)C)CC6)C)C
Metabolite of Species Details
Hericium coralloides (NCBI:txid100756) See: PubMed
ChEBI Ontology
Outgoing CJ-15544 (CHEBI:207755) is a diterpenoid (CHEBI:23849)
IUPAC Name
(4R,9R,12R,13S,15S,18R,20S,21R,22R)-18,20,22-trihydroxy-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-19-one
Manual Xref Database
78437340 ChemSpider
View more database links