COMPOUND: C10263
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Entry
C10263 Compound
Name
Amabiline;
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester
Formula
C15H25NO4
Exact mass
283.1784
Mol weight
283.3633
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from ornithine
Pyrrolizidine alkaloids
C10263 Amabiline
BRITE hierarchy
Other DBs
CAS:
17958-43-9
PubChem:
12449
ChEBI:
2617
KNApSAcK:
C00002077
3DMET:
B03686
NIKKAJI:
J16.159D
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All DBs
KCF data
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ATOM 20
1 C1y C 24.1731 -19.1121
2 C2y C 25.4155 -18.6395
3 N1y N 24.1498 -20.5060
4 C1x C 22.7442 -18.7328
5 C2x C 26.2729 -19.7360
6 C1b C 25.4155 -17.2339
7 C1x C 25.4913 -20.8967
8 C1x C 22.8434 -20.9960
9 C1x C 21.9626 -19.9052
10 O7a O 26.6229 -16.5282
11 C7a C 27.8303 -17.2281
12 C1d C 29.0434 -16.5223
13 O6a O 27.8943 -18.6278
14 C1c C 29.0376 -15.1224
15 C1c C 30.2567 -17.2222
16 O1a O 30.2428 -15.6037
17 C1a C 30.2450 -14.4168
18 C1a C 27.8186 -14.4225
19 C1a C 31.4638 -16.5165
20 O1a O 30.2450 -18.6220
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 6 10 1
10 10 11 1
11 11 12 1
12 11 13 2
13 12 14 1 #Down
14 12 15 1
15 12 16 1 #Up
16 14 17 1
17 14 18 1
18 15 19 1
19 15 20 1 #Down
20 5 7 1
21 8 9 1
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