COMPOUND: C10246
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Entry
C10246 Compound
Name
Batatasin I;
2,5,7-Trimethoxyphenanthren-3-ol
Formula
C17H16O4
Exact mass
284.1049
Mol weight
284.3065
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Shikimate / acetate-malonate pathway derived compounds
Stilbenoids
Phenanthrenes
C10246 Batatasin I
BRITE hierarchy
Other DBs
CAS:
51415-00-0
PubChem:
12432
ChEBI:
2996
KNApSAcK:
C00000325
3DMET:
B03671
NIKKAJI:
J11.651C
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KCF data
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ATOM 21
1 C8x C 22.6120 -15.8587
2 C8y C 21.8782 -17.0598
3 C8x C 22.5584 -18.2947
4 C8y C 23.9594 -18.2548
5 C8y C 24.0189 -15.8926
6 C8y C 24.6820 -17.1196
7 C8x C 26.1460 -14.6671
8 C8x C 24.7510 -14.7014
9 C8y C 26.8091 -15.9641
10 C8y C 26.0762 -17.1531
11 C8x C 26.7441 -18.3796
12 C8y C 28.1374 -18.4172
13 C8y C 28.8632 -17.2282
14 C8x C 28.2025 -16.0017
15 O2a O 20.4738 -17.0981
16 O2a O 24.6334 -19.5564
17 O1a O 28.8032 -19.6531
18 O2a O 30.2676 -17.1961
19 C1a C 19.8026 -15.7950
20 C1a C 26.0379 -19.5849
21 C1a C 30.9336 -18.4949
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 9 10 2
5 10 11 1
6 11 12 2
7 12 13 1
8 13 14 2
9 14 9 1
10 5 6 2
11 2 15 1
12 6 10 1
13 4 16 1
14 9 7 1
15 12 17 1
16 7 8 2
17 13 18 1
18 8 5 1
19 15 19 1
20 4 6 1
21 16 20 1
22 5 1 1
23 18 21 1
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