COMPOUND: C15510
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Entry
C15510 Compound
Name
4-Glyceollidin;
4-Dimethylallylglycinol;
4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan;
(6aS,11aS)-3,6a,9-Trihydroxy-4-prenylpterocarpan
Formula
C20H20O5
Exact mass
340.1311
Mol weight
340.3698
Structure
Mol file
KCF file
DB search
Reaction
R07197
R07272
R07357
Pathway
map00943
Isoflavonoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.135
2.5.1.36
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1207 Pterocarpans
C15510 4-Glyceollidin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Isoflavonoids
Pterocarpans
C15510 4-Glyceollidin
BRITE hierarchy
Other DBs
CAS:
77979-21-6
PubChem:
17396502
ChEBI:
50036
KNApSAcK:
C00009689
NIKKAJI:
J156.716K
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 C8y C 26.4516 -16.9836
14 C8x 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 26.4529 -15.6100
22 C2b C 25.2464 -14.9120
23 C2c C 25.2476 -13.5102
24 C1a C 26.4774 -12.8014
25 C1a C 24.0526 -12.8187
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 13 21 1
25 21 22 1
26 22 23 2
27 23 24 1
28 23 25 1
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