COMPOUND: C10380
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Entry
C10380 Compound
Name
Rosmarinine;
Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-
Formula
C18H27NO6
Exact mass
353.1838
Mol weight
353.4101
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from ornithine
Pyrrolizidine alkaloids
C10380 Rosmarinine
BRITE hierarchy
Other DBs
CAS:
520-65-0
PubChem:
12566
ChEBI:
8896
KNApSAcK:
C00002112
3DMET:
B03793
NIKKAJI:
J948.174E
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KCF data
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ATOM 25
1 C1y C 27.1313 -19.9138
2 N1y N 27.1489 -20.9754
3 C1y C 25.9473 -19.2255
4 C1y C 28.3154 -19.2430
5 C1x C 28.3911 -21.6170
6 C1x C 25.8656 -21.6170
7 C1x C 24.8333 -20.4270
8 O7x O 25.9473 -17.8664
9 C1y C 29.3479 -20.4270
10 C1x C 28.3154 -17.8723
11 C7x C 24.7575 -17.1841
12 O1a O 30.9052 -20.4270
13 O7x O 29.5111 -17.1958
14 C2y C 24.7575 -15.8133
15 O6a O 23.5792 -17.8723
16 C7x C 29.5170 -15.8192
17 C1x C 25.9473 -15.1250
18 C2b C 23.5792 -15.1250
19 C1z C 28.3270 -15.1309
20 O6a O 30.7010 -15.1250
21 C1y C 27.1489 -15.8133
22 C1a C 22.3835 -15.8133
23 C1a C 27.6330 -13.7952
24 O1a O 28.8229 -13.8011
25 C1a C 27.1430 -16.9041
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 1 #Up
10 8 11 1
11 9 12 1 #Down
12 10 13 1
13 11 14 1
14 11 15 2
15 13 16 1
16 14 17 1
17 14 18 2
18 16 19 1
19 16 20 2
20 17 21 1
21 18 22 1
22 19 23 1 #Down
23 19 24 1 #Up
24 21 25 1 #Down
25 5 9 1
26 6 7 1
27 19 21 1
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