input word = C00022869

Metabolite InformationStructural formula
Name Nigroxanthin
(3R,6'S)-3',18'-Didehydro-beta,epsilon-carotene-3,6'-diol
Formula C40H54O2
Mw 566.41238097
CAS RN 158312-69-7
C_ID C00022869 ,
InChIKey BYJIOUBZISYXSQ-JEFJXCMXNA-N
InChICode InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+/t36-,40+/m1/s1
SMILES C=C1C=CCC(C)(C)C1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. longum nigrum Ref.
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OrganismCapsicum annuum var. longum nigrum
ReferenceDeli,Chimia,48,(1994),102