MSI_000050107

Unreliable

排名分数: 0.88
参考来源: Mytilus edulis (UBERON:0009120: gill filament)

M/z: 597.0429
Mass Window: 597.0429 ~ 597.0429 (none)

参考注释

Castacrenin A_[M+H-H2O]+ (BioDeep_00000022217)
12-[4-(1,2-dihydroxyethyl)-5,11,12,13-tetrahydroxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-10-yl]-6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

Formula: C27H18O17 (614.0543978000001)
SMILES: C1=C2C3=C(C(=C1O)O)OC(=O)C4=C3C(=C(C(=C4C5=C6C(=C(C(=C5O)O)O)C7C(C(C(O7)C(CO)O)O)OC6=O)O)O)OC2=O

Castacrenin A is found in nuts. Castacrenin A is a constituent of the heartwood of Castanea crenata (Japanese chestnut)