input word = C00002041

Metabolite InformationStructural formula
Name Gerrardine
Formula C11H19NO2S4
Mw 325.02986178
CAS RN 14022-19-6
C_ID C00002041 ,
InChIKey BEZBZIDWLUURMB-HMLZIWKVNA-N
InChICode InChI=1S/C11H19NO2S4/c1-12-6(10-8(13)4-15-17-10)2-3-7(12)11-9(14)5-16-18-11/h6-11,13-14H,2-5H2,1H3/t6-,7-,8+,9+,10+,11+/m1/s1
SMILES C1SS[C@H]([C@H]1O)[C@@H]1N([C@H](CC1)[C@@H]1SSC[C@@H]1O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCassipourea gerrardii Ref.
PlantaeRhizophoraceaeCassipourea guianensis Ref.
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OrganismCassipourea gerrardii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter25