COMPOUND: C09048
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Entry
C09048 Compound
Name
Spathelia bischromene;
2,2,6,6,10-Pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one
Formula
C20H20O4
Exact mass
324.1362
Mol weight
324.3704
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1311 Benzopyranoids
C09048 Spathelia bischromene
Phytochemical compounds [BR:
br08003
]
Polyketides
Pyrones
Chromones
C09048 Spathelia bischromene
BRITE hierarchy
Other DBs
CAS:
34411-93-3
PubChem:
11240
ChEBI:
9213
KNApSAcK:
C00002446
3DMET:
B02642
NIKKAJI:
J18.497G
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All DBs
KCF data
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ATOM 24
1 C8y C 25.4656 -16.2468
2 C8y C 24.3545 -16.9718
3 C8y C 25.5005 -14.8669
4 C8y C 26.7459 -16.9016
5 C8y C 23.0742 -16.3170
6 O2x O 24.3896 -18.3516
7 C8y C 24.2085 -14.2063
8 O2x O 26.6757 -14.1478
9 C8x C 27.8451 -16.1825
10 O5x O 26.7108 -18.2874
11 C8y C 23.0974 -14.9314
12 C2x C 21.9690 -17.0303
13 C1z C 23.2201 -19.0650
14 C2x C 24.2375 -12.8205
15 C8y C 27.8860 -14.8084
16 O2x O 21.8113 -14.2706
17 C2x C 22.0098 -18.4101
18 C1a C 22.2321 -20.3395
19 C1a C 24.1732 -20.4097
20 C2x C 23.0273 -12.1657
21 C1a C 29.0612 -14.0953
22 C1z C 21.8404 -12.8850
23 C1a C 20.6359 -12.2302
24 C1a C 20.6944 -13.7268
BOND 27
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 11 16 1
16 12 17 2
17 13 18 1
18 13 19 1
19 14 20 2
20 15 21 1
21 16 22 1
22 22 23 1
23 22 24 1
24 7 11 2
25 9 15 2
26 13 17 1
27 20 22 1
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