COMPOUND: C08527
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Entry
C08527 Compound
Name
Haemanthamine;
Hemanthamine;
(3beta,5alpha,11R,13beta,19alpha)-1,2-Didehydro-3-methoxycrinan-11-ol;
(+)-Haemanthamine
Formula
C17H19NO4
Exact mass
301.1314
Mol weight
301.3371
Structure
Mol file
KCF file
DB search
Reaction
R11761
Pathway
map00950
Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C08527 Haemanthamine
BRITE hierarchy
Other DBs
CAS:
466-75-1
PubChem:
10720
ChEBI:
5600
KNApSAcK:
C00001571
PDB-CCD:
HN8
[
PDBj
]
3DMET:
B02197
NIKKAJI:
J82.226D
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All DBs
KCF data
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ATOM 22
1 C1z C 27.0532 -17.4251
2 C8y C 25.9251 -18.0740
3 C1y C 28.1755 -18.0798
4 C1y C 28.2046 -16.7413
5 C2x C 27.0006 -16.0165
6 C8y C 25.9251 -19.3775
7 C8x C 24.7910 -17.4310
8 N1y N 28.1755 -19.3833
9 C1x C 29.2978 -17.4368
10 C1x C 29.3270 -18.6878
11 O1a O 30.8585 -17.5712
12 C2x C 28.1755 -15.4845
13 C1x C 27.0474 -20.0263
14 C8x C 24.8027 -20.0322
15 C8y C 23.6629 -18.0857
16 C1y C 29.2978 -16.1334
17 C8y C 23.6689 -19.3775
18 O2x O 22.4355 -17.6882
19 O2a O 30.4610 -15.4554
20 O2x O 22.4413 -19.7749
21 C1x C 21.6815 -18.7344
22 C1a C 31.6183 -16.1217
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1 #Up
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 2
15 9 16 1
16 14 17 2
17 15 18 1
18 16 19 1 #Up
19 17 20 1
20 18 21 1
21 19 22 1
22 8 10 1 #Down
23 8 13 1
24 12 16 1
25 15 17 1
26 20 21 1
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