COMPOUND: C08335
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Entry
C08335 Compound
Name
Lucumin;
Benzeneacetonitrile,alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-,(R)-;
Mandelonitrile primeveroside
Formula
C19H25NO10
Exact mass
427.1478
Mol weight
427.40
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Amino acid related compounds
Cyanogenic glucosides
Cyanogenic glucosides derived from phenylalanine
C08335 Lucumin
Glycosides [BR:
br08021
]
O-glycosides
Cyanogenic glycosides
C08335 Lucumin
BRITE hierarchy
Other DBs
CAS:
1392-28-5
PubChem:
10533
ChEBI:
6559
KNApSAcK:
C00001449
NIKKAJI:
J14.192E
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All DBs
KCF data
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ATOM 30
1 C1y C 28.4927 -16.9792
2 O2x O 27.2715 -16.2780
3 O2a O 29.7024 -16.2780
4 C1y C 28.4927 -18.3818
5 C1y C 26.0676 -16.9792
6 C1c C 30.9064 -16.9735
7 C1y C 27.2715 -19.0831
8 O1a O 29.7024 -19.0831
9 C1y C 26.0676 -18.3818
10 C1b C 24.8521 -16.2780
11 C8y C 32.0867 -16.2371
12 C3b C 30.9589 -18.3759
13 O1a O 27.2715 -20.4856
14 O1a O 24.8521 -18.9431
15 O2a O 23.7825 -17.1896
16 C8x C 32.0284 -14.8346
17 C8x C 33.3198 -16.8799
18 N3a N 30.9357 -19.7727
19 C1y C 22.5728 -17.8968
20 C8x C 33.2088 -14.0865
21 C8x C 34.5004 -16.1319
22 C1y C 22.5728 -19.2993
23 O2x O 21.3457 -17.1955
24 C8x C 34.5177 -14.7410
25 C1y C 21.3457 -20.0006
26 O1a O 23.7768 -20.0706
27 C1x C 20.1419 -17.9025
28 C1y C 20.1419 -19.2993
29 O1a O 21.3457 -21.4032
30 O1a O 18.9263 -20.0006
BOND 32
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 6 12 1 #Down
12 7 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 11 16 2
16 11 17 1
17 12 18 3
18 19 15 1 #Up
19 16 20 1
20 17 21 2
21 19 22 1
22 19 23 1
23 20 24 2
24 22 25 1
25 22 26 1 #Down
26 23 27 1
27 25 28 1
28 25 29 1 #Up
29 28 30 1 #Down
30 7 9 1
31 21 24 1
32 27 28 1
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