glucoraphanin

InChI: InChI=1/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/p-1/t7-,9-,10+,11-,12+,25?/m1/s1/fC12H22NO10S3/q-1

InChIKey: InChIKey=GMMLNKINDDUDCF-SQGBKKNNDI
SMILES: CS(=O)CCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O

CAS number 21414-41-5

Names:
    beta-D-Glucopyranose, 1-thio-,
    Glucoraphanin
    glucoraphanin

Registries:
    PubChem CID 656556
    CAS 21414-41-5 (from NIST)
    ChEBI 5415
    Kegg C08419
    PubChem ID 10615