CHEBI:203885 - 19-O-linoleoylsarcodonin A

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 19-O-linoleoylsarcodonin A
ChEBI ID CHEBI:203885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H58O4
Net Charge 0
Average Mass 578.878
Monoisotopic Mass 578.43351
InChI InChI=1S/C38H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(41)42-29-30(2)32-23-24-37(3)25-26-38(4)33(36(32)37)22-21-31(28-39)27-34(38)40/h9-10,12-13,21-22,28,30,34,40H,5-8,11,14-20,23-27,29H2,1-4H3/b10-9-,13-12-/t30-,34+,37-,38-/m1/s1
InChIKey BZWGMCWZXRKRBF-JZSWCJGMSA-N
SMILES O=C(OC[C@H](C1=C2C3=CC=C(C=O)C[C@@H]([C@@]3(CC[C@@]2(C)CC1)C)O)C)CCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Sarcodon scabrosus (NCBI:txid178525) See: PubMed
ChEBI Ontology
Outgoing 19-O-linoleoylsarcodonin A (CHEBI:203885) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(2S)-2-[(3aR,5aR,6S)-8-ormyl-6-hydroxy-3a,5a-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[g]inden-1-yl]propyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xref Database
78437062 ChemSpider
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