COMPOUND: C10030
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Entry
C10030 Compound
Name
Chrysosplenetin;
Chrysosplenetin B;
Quercetagetin 3,6,7,3'-tetramethyl ether
Formula
C19H18O8
Exact mass
374.1002
Mol weight
374.3414
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10030 Chrysosplenetin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C10030 Chrysosplenetin
BRITE hierarchy
Other DBs
CAS:
603-56-5
PubChem:
12216
ChEBI:
3689
LIPIDMAPS:
LMPK12113009
KNApSAcK:
C00004704
3DMET:
B03473
NIKKAJI:
J326.151D
LinkDB
All DBs
KCF data
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ATOM 27
1 C8y C 23.6849 -19.5868
2 C8y C 23.6908 -18.1883
3 C8y C 24.8970 -20.2977
4 C8y C 22.4788 -20.2917
5 O2x O 24.9086 -17.4950
6 C8x C 22.4788 -17.4891
7 C8y C 26.1148 -19.5984
8 O5x O 24.8911 -21.6961
9 C8y C 21.2610 -19.5868
10 O1a O 22.4847 -21.6961
11 C8y C 26.1205 -18.2000
12 C8y C 21.2610 -18.1883
13 O2a O 27.3209 -20.3093
14 O2a O 20.0548 -20.2917
15 C8y C 27.3383 -17.5067
16 O2a O 20.0548 -17.4891
17 C1a C 28.5386 -19.6101
18 C1a C 18.8429 -19.5868
19 C8x C 27.3383 -16.1083
20 C8x C 28.5445 -18.2117
21 C1a C 18.8429 -18.1883
22 C8y C 28.5561 -15.4090
23 C8x C 29.7506 -17.5184
24 C8y C 29.7564 -16.1199
25 O2a O 28.5619 -14.0106
26 O1a O 30.9742 -15.4207
27 C1a C 29.7739 -13.3171
BOND 29
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 13 17 1
17 14 18 1
18 15 19 1
19 15 20 2
20 16 21 1
21 19 22 2
22 20 23 1
23 22 24 1
24 22 25 1
25 24 26 1
26 25 27 1
27 7 11 2
28 9 12 1
29 23 24 2
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