COMPOUND: C18013
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Entry
C18013 Compound
Name
3,3'-Biflaviolin;
3,3',6,6',8,8'-Hexahydroxy-2,2'-binaphthalene-1,1',4,4'-tetraone
Formula
C20H10O10
Exact mass
410.0274
Mol weight
410.2874
Structure
Mol file
KCF file
DB search
Reaction
R08912
Enzyme
1.14.19.69
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1302 Naphthalenes and naphthoquinones
C18013 3,3'-Biflaviolin
BRITE hierarchy
Other DBs
PubChem:
96024233
ChEBI:
51836
KNApSAcK:
C00049122
NIKKAJI:
J2.025.753I
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KCF data
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ATOM 30
1 C2y C 30.9437 -23.5105
2 C2y C 30.9437 -24.9151
3 C5x C 29.7498 -25.6173
4 C8y C 28.4857 -24.9151
5 C8y C 28.4857 -23.5105
6 C5x C 29.7498 -22.8083
7 C8x C 27.2919 -25.6173
8 C8y C 26.0980 -24.9151
9 C8x C 26.0980 -23.5105
10 C8y C 27.2919 -22.8083
11 O5x O 29.7498 -21.4037
12 O5x O 29.7498 -27.0219
13 O1a O 32.1375 -25.9673
14 O1a O 24.9042 -25.6173
15 O1a O 27.2919 -21.4037
16 C2y C 32.1521 -22.8194
17 C5x C 33.3453 -23.5150
18 C8y C 34.5607 -22.8201
19 C8y C 34.5666 -21.4201
20 C5x C 33.3733 -20.7245
21 C2y C 32.1580 -21.4194
22 C8y C 35.7702 -23.5252
23 C8x C 36.9855 -22.8303
24 C8y C 36.9914 -21.4303
25 C8x C 35.7819 -20.7252
26 O1a O 38.1872 -20.7462
27 O1a O 35.7643 -24.9200
28 O5x O 33.3792 -19.3200
29 O5x O 33.3395 -24.9199
30 O1a O 31.2081 -20.5621
BOND 33
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 6 11 2
13 3 12 2
14 2 13 1
15 8 14 1
16 10 15 1
17 1 16 1
18 16 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 1
23 16 21 2
24 18 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 19 25 1
29 24 26 1
30 22 27 1
31 20 28 2
32 17 29 2
33 21 30 1
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