COMPOUND: C17416
Help
Entry
C17416 Compound
Name
Astrapterocarpan;
(6aR,11aR)-3-Hydroxy-9,10-dimethoxypterocarpan
Formula
C17H16O5
Exact mass
300.0998
Mol weight
300.3059
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1207 Pterocarpans
C17416 Astrapterocarpan
BRITE hierarchy
Other DBs
PubChem:
96023766
ChEBI:
81072
LIPIDMAPS:
LMPK12070054
KNApSAcK:
C00009617
NIKKAJI:
J451.760A
LinkDB
All DBs
KCF data
Show
ATOM 22
1 C1y C 26.6917 -20.7388
2 C1y C 27.8828 -20.0382
3 C8y C 25.5006 -20.0382
4 O2x O 26.9720 -22.0701
5 C8y C 28.9338 -21.0191
6 C1x C 27.8828 -18.6368
7 C8y C 25.5006 -18.6368
8 C8x C 24.3094 -20.7388
9 C8y C 28.3733 -22.2803
10 C8x C 30.3352 -20.8790
11 O2x O 26.6917 -17.9362
12 C8x C 24.3094 -17.9362
13 C8x C 23.0482 -20.0382
14 C8y C 29.2141 -23.4014
15 C8x C 31.1760 -22.0000
16 C8y C 23.0482 -18.6368
17 C8y C 30.5454 -23.2612
18 O1a O 21.8571 -17.9362
19 O2a O 31.3862 -24.3823
20 C1a C 32.7875 -24.3823
21 O2a O 28.6584 -24.6751
22 C1a C 29.4960 -25.8100
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 2
15 12 16 2
16 14 17 2
17 16 18 1
18 17 19 1
19 5 9 2
20 7 11 1
21 13 16 1
22 15 17 1
23 19 20 1
24 14 21 1
25 21 22 1
» Japanese version
DBGET
integrated database retrieval system