glucobrassicanapin
Molecular Formula:
C12H20NO9S2-
InChI: InChI=1/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/p-1/t7-,9-,10+,11-,12+/m1/s1/fC12H20NO9S2/q-1
InChIKey: InChIKey=XMJFVIGTHMOGNZ-YNIFVWFJDV
SMILES: OC[C@H]1O[C@@H](SC(CCCC=C)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
CAS number 19041-10-2
Names:
C08403
Glucobrassicanapin
glucobrassicanapin
pent-4-enylglucosinolate
(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-pent-4-enyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
19041-10-2
4-pentenylglucosinolate
Registries:
PubChem CID 656526
CAS 19041-10-2 (from NIST)
ChEBI 5397
Kegg C08403
PubChem ID 10599
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|