(+)-costunolide (12,6α)

Chemical Formula:

C₁₅H₂₀O₂

Molecular Weight:

232.322 Daltons

Monoisotopic Mass:

232.1463298862 Daltons

SMILES:

CC1(CC[CH]2(C(=C)C(=O)O[CH](C=C(C)CCC=1)2))

InChI:

1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1

InChIKey:

HRYLQFBHBWLLLL-AHNJNIBGSA-N

Databases

MetaCyc: CPD-9410

PubChem (CID): 5281437 6436243

MetaboLights: MTBLC3900

HMDB: HMDB36688

ChEBI: 3900

ChemSpider: 4528981

KEGG: C09382

RefMet: Costunolide

Seed: cpd06277

MetaNetX: MNXM4141