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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Euphorbiaproliferin H
Properties
Image
Occurences in reactions
MNX_ID
MNXM105029
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
40
H
44
O
11
charge
0
mass
700.28836
reference
chebi:69719
InChIKey
FEESWVAHLOUZGM-LDFAREHWSA-N
InChI
InChI=1S/C40H44O11/c1-22(2)29-18-19-30(49-35(44)27-14-10-8-11-15-27)39-21-46-38(7,33(29)39)37(50-36(45)28-16-12-9-13-17-28)40(51-26(6)43)20-23(3)32(47-24(4)41)31(40)34(39)48-25(5)42/h8-19,23,29-34,37H,1,20-21H2,2-7H3/t23-,29+,30+,31+,32-,33-,34+,37-,38+,39+,40+/m0/s1
SMILES
C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4ccccc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]4[C@H]2OC(C)=O)[C@H]13
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:69719
chebi:69719
Euphorbiaproliferin H
3beta,5alpha,15beta-tri-O-acetyl-7beta,14beta-di-O-benzoyl-14-deoxomyrsinol