input word = C00055181

Metabolite InformationStructural formula
Name 2'-Apo-beta-carotenal
Formula C37H48O
Mw 508.37051615
CAS RN 5525-46-2
C_ID C00055181
InChIKey VIESZENAKBSKEF-PVDOVMPZSA-N
InChICode InChI=1S/C37H50O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,16-23,26-27,29H,14-15,24-25,28H2,1-8H3/b10-9+,18-11+,19-13+,21-12+,27-26+,30-16+,31-17+,32-20+,33-22+,34-23+
SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCC=O)C(C)(C)CCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus spp. Ref.
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