COMPOUND: C08340
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Entry
C08340 Compound
Name
Sarmentosin;
2-Butenenitrile,4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)-, (E)-
Formula
C11H17NO7
Exact mass
275.1005
Mol weight
275.2552
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Amino acid related compounds
Cyanogenic glucosides
Cyanogenic glucosides derived from valine or isoleucine
C08340 Sarmentosin
Glycosides [BR:
br08021
]
O-glycosides
Cyanogenic glycosides
C08340 Sarmentosin
BRITE hierarchy
Other DBs
CAS:
71933-54-5
PubChem:
10538
ChEBI:
9033
KNApSAcK:
C00001455
NIKKAJI:
J589.931A
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All DBs
KCF data
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ATOM 19
1 C1y C 25.5086 -16.3095
2 O2x O 24.2942 -15.6089
3 C1y C 25.5027 -17.7105
4 O2a O 26.7170 -15.6149
5 C1y C 23.0743 -16.3037
6 C1y C 24.2885 -18.4168
7 O1a O 26.7053 -18.4228
8 C1b C 27.9195 -16.3095
9 C1y C 23.0743 -17.7163
10 C1b C 21.8542 -15.5972
11 O1a O 24.2651 -19.8179
12 C2b C 29.1279 -15.6149
13 O1a O 21.8483 -18.4051
14 O1a O 20.6341 -16.3037
15 C2c C 30.3306 -16.3095
16 C3b C 30.3246 -17.7046
17 C1b C 31.5390 -15.6149
18 N3a N 30.3189 -19.1057
19 O1a O 32.7474 -16.3095
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 9 13 1 #Down
13 10 14 1
14 12 15 2
15 15 16 1
16 15 17 1
17 16 18 3
18 17 19 1
19 6 9 1
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