input word = C00045115

Metabolite InformationStructural formula
Name beta-Apo-8'-carotenal
trans-beta-Apo-8'-carotenal
beta-caryophellene
Formula C30H40O
Mw 416.3079159
CAS RN 1107-26-2
C_ID C00045115 ,
InChIKey DFMMVLFMMAQXHZ-DOKBYWHISA-N
InChICode InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+
SMILES C1CCC(C(=C1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C=O)\C)/C)/C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena draco Ref.
PlantaeLabiataeLavandula angustifolia Ref.
--Pandanous amryllifolius Ref.
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