input word = C00022984

Metabolite InformationStructural formula
Name Cryptocapsin
(3'S,5'R)-3'-Hydroxy-beta,kappa-caroten-6'-one
Formula C40H56O2
Mw 568.42803103
CAS RN 7044-42-0
C_ID C00022984 ,
InChIKey ITZNDVRDABSNRE-GDPQFAHTNA-N
InChICode InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1
SMILES C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)[C@@]1(C[C@H](CC1(C)C)O)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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