(+)-7-epi-12-hydroxyjasmonoyl-L-isoleucine

Chemical Formula:

C₁₈H₂₈NO₅

Molecular Weight:

338.423 Daltons

Monoisotopic Mass:

339.2045730466 Daltons

SMILES:

CCC(C)C(NC(=O)CC1(CCC(=O)C(CC=CCCO)1))C([O-])=O

InChI:

1S/C18H29NO5/c1-3-12(2)17(18(23)24)19-16(22)11-13-8-9-15(21)14(13)7-5-4-6-10-20/h4-5,12-14,17,20H,3,6-11H2,1-2H3,(H,19,22)(H,23,24)/p-1/b5-4-/t12-,13+,14-,17-/m0/s1

InChIKey:

TXHIPUZLOILIIU-RAJZRIHCSA-M

Synonyms

(3R,7S)-12-OH-JA-Ile
(3R,7S)-12-hydroxyjasmonoyl-isoleucine
(3R,7S)-12-hydroxyjasmonoyl-L-isoleucine
(+)-7-iso-12-hydroxyjasmonoyl-L-isoleucine

Databases

MetaCyc: CPD-13420

ChEBI: 136181

PubChem (CID): 126456509

Seed: cpd23866

MetaNetX: MNXM13561