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(+)-costunolide

MNXM4141 is deprecated and here replaced by MNXM735753
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735753 Image of MNXM735753
referencechebi:3900
formulaC15H20O2
global charge0
mol weight232.323
InChIKeyHRYLQFBHBWLLLL-AHNJNIBGSA-N
InChIInChI=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
SMILESC=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM735753
SMILES (mnx)[CH3:1]/[C:10]1=[CH:5]\[CH2:4][CH2:6]/[C:11]([CH3:2])=[CH:9]/[C@@H:14]2[C@@H:13]([CH2:8][CH2:7]1)[C:12](=[CH2:3])[C:15](=[O:16])[O:17]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3900
chebi:3900
HRYLQFBHBWLLLL-AHNJNIBGSA-N 		(+)-costunolide
(10S,1R)-3,7-dimethyl-11-methylene-13-oxabicyclo[8.3.0]trideca-2,6-dien-12-one
(3aS,6E,10E)-3-methylene-6,10-dimethyl-2,3,3abeta,4,5,8,9,11aalpha-octahydrocyclodeca[b]furan-2-one
(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
(E,E)-6-alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oic acid gamma-lactone
(E,E)-germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha-hydroxy-gamma-lactone
Costunlide
Costunolid
Costunolide
Costus lactone
costunolide

metacyc.compound:CPD-9410
metacycM:CPD-9410
HRYLQFBHBWLLLL-AHNJNIBGSA-N 		(+)-costunolide (12,6alpha)

kegg.compound:C09382
keggC:C09382
HRYLQFBHBWLLLL-AHNJNIBGSA-N 		Costunolide
(+)-Costunolide

seed.compound:cpd06277
seedM:cpd06277
HRYLQFBHBWLLLL-AHNJNIBGSA-N 		Costunolide
(+)-Costunolide
(+)-costunolide

chebi:545296
keggC:M_C09382
seedM:M_cpd06277 		secondary/obsolete/fantasy identifier