COMPOUND: C15509
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Entry
C15509 Compound
Name
Glyceocarpin;
2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan;
(6aS,11aS)-3,6a,9-Trihydroxy-2-prenylpterocarpan
Formula
C20H20O5
Exact mass
340.1311
Mol weight
340.3698
Structure
Mol file
KCF file
DB search
Reaction
R07195
R07196
R07271
R07356
Pathway
map00943
Isoflavonoid biosynthesis
Enzyme
1.14.14.135
2.5.1.36
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1207 Pterocarpans
C15509 Glyceocarpin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Isoflavonoids
Pterocarpans
C15509 Glyceocarpin
BRITE hierarchy
Other DBs
CAS:
77979-22-7
PubChem:
17396501
ChEBI:
50118
LIPIDMAPS:
LMPK12070004
KNApSAcK:
C00009688
NIKKAJI:
J156.715B
LinkDB
All DBs
KCF data
Show
ATOM 25
1 C1y C 28.8610 -19.7788
2 C1z C 30.0732 -19.0997
3 C8y C 27.6534 -19.0880
4 O2x O 29.1356 -21.1500
5 C8y C 31.1044 -20.0430
6 C1x C 30.0790 -17.6992
7 O1a O 31.2574 -18.2497
8 C8y C 27.6592 -17.6804
9 C8x C 26.4516 -19.7788
10 C8y C 30.5303 -21.3020
11 C8x C 32.4931 -19.9015
12 O2x O 28.8785 -16.9895
13 C8x C 26.4516 -16.9836
14 C8y C 25.2394 -19.0880
15 C8x C 31.3450 -22.4454
16 C8x C 33.3019 -21.0332
17 C8y C 25.2394 -17.6804
18 C8y C 32.7338 -22.3038
19 O1a O 24.0260 -16.9836
20 O1a O 33.5487 -23.4414
21 C1b C 24.0428 -19.7838
22 C2b C 22.8155 -19.0798
23 C2c C 21.5954 -19.7885
24 C1a C 20.4164 -19.1120
25 C1a C 21.5986 -21.2096
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Down
7 3 8 2
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 8 13 1
13 9 14 2
14 10 15 1
15 11 16 2
16 13 17 2
17 15 18 2
18 17 19 1
19 18 20 1
20 5 10 2
21 8 12 1
22 14 17 1
23 16 18 1
24 14 21 1
25 21 22 1
26 22 23 2
27 23 24 1
28 23 25 1
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