MSI_000032409

Unreliable

排名分数: 1.36
参考来源: Posidonia oceanica (PO:0005020: vascular bundle)

M/z: 688.3957
Mass Window: 688.3955 ~ 688.396 (2.1 ppm)

参考注释

(2e,4e)-5-[(3s,4s,7s,8s,9r,12s,23r,24s,28r)-7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-(prop-1-en-2-yl)-21-oxa-1-azaoctacyclo[13.13.1.0²,¹⁴.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁸,²³.0²⁶,²⁹]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl]-2-methylpenta-2,4-dienoic acid_[M+Na]+ (BioDeep_00002082076)
(2e,4e)-5-[(3s,4s,7s,8s,9r,12s,23r,24s,28r)-7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-28-(prop-1-en-2-yl)-21-oxa-1-azaoctacyclo[13.13.1.0²,¹⁴.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁸,²³.0²⁶,²⁹]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl]-2-methylpenta-2,4-dienoic acid

Formula: C43H55NO5 (665.4080019999999)
SMILES:

C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O