COMPOUND: C08331
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Entry
C08331 Compound
Name
Gynocardin;
2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-,(1alpha,4alpha,5beta)-
Formula
C12H17NO8
Exact mass
303.0954
Mol weight
303.2653
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Amino acid related compounds
Cyanogenic glucosides
Cyanogenic glucosides derived from nonprotein amino acid
C08331 Gynocardin
Glycosides [BR:
br08021
]
O-glycosides
Cyanogenic glycosides
C08331 Gynocardin
BRITE hierarchy
Other DBs
CAS:
14332-17-3
PubChem:
10529
ChEBI:
5578
KNApSAcK:
C00001444
NIKKAJI:
J16.181K
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All DBs
KCF data
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ATOM 21
1 C1z C 28.5630 -16.6554
2 O2a O 27.3400 -15.9565
3 C1y C 29.7046 -17.4940
4 C2x C 29.0000 -15.3099
5 C3b C 28.5514 -18.0706
6 C1y C 26.1227 -16.6728
7 C1y C 30.8579 -16.6554
8 O1a O 29.6930 -18.9094
9 C2x C 30.4152 -15.3099
10 N3a N 28.5456 -19.4859
11 O2x O 24.9114 -16.0089
12 C1y C 26.1401 -18.0590
13 O1a O 32.0809 -17.3660
14 C1y C 23.7174 -16.7194
15 C1y C 24.9637 -18.7696
16 O1a O 27.3400 -18.7405
17 C1y C 23.7524 -18.0940
18 C1b C 22.4942 -16.0438
19 O1a O 24.9637 -20.1498
20 O1a O 22.5468 -18.8045
21 O1a O 21.3119 -16.7544
BOND 22
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 6 2 1 #Up
6 3 7 1
7 3 8 1 #Up
8 4 9 2
9 5 10 3
10 6 11 1
11 6 12 1
12 7 13 1 #Down
13 11 14 1
14 12 15 1
15 12 16 1 #Down
16 14 17 1
17 14 18 1 #Up
18 15 19 1 #Up
19 17 20 1 #Down
20 18 21 1
21 7 9 1
22 15 17 1
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