KEGG   COMPOUND: C03002
Entry
C03002                      Compound                               
Name
N-Caffeoylputrescine
Formula
C13H18N2O3
Exact mass
250.1317
Mol weight
250.2936
Structure
Reaction
Enzyme
Other DBs
CAS: 29554-26-5
PubChem: 5911
ChEBI: 182693
KNApSAcK: C00002719
3DMET: B00526
NIKKAJI: J39.015A
LinkDB
KCF data

ATOM        18
            1   C8y C    24.9812  -17.3043
            2   C8x C    26.1049  -17.9901
            3   C8x C    23.7808  -17.9901
            4   C2b C    24.9756  -15.9198
            5   C8y C    26.1233  -19.3871
            6   C8x C    23.7808  -19.3871
            7   C2b C    26.1686  -15.2276
            8   C8y C    24.9812  -20.0921
            9   O1a O    27.2464  -20.0085
            10  C5a C    26.1686  -13.8432
            11  O1a O    24.9756  -21.4056
            12  N1b N    27.3561  -13.1511
            13  O5a O    24.9685  -13.1638
            14  C1b C    28.5824  -13.8600
            15  C1b C    29.7949  -13.1600
            16  C1b C    31.0073  -13.8600
            17  C1b C    32.2197  -13.1600
            18  N1a N    33.4322  -13.8600
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   10  13 2
            13    6   8 1
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1

» Japanese version

DBGET integrated database retrieval system