MSI_000057451

Unreliable

排名分数: 0.97
参考来源: Homo sapiens (UBERON:0007779: transudate)

M/z: 644.3415
Mass Window: 644.3415 ~ 644.3415 (none)

参考注释

Buprenorphine glucuronide_[M+H]+ (BioDeep_00000054370)
(2S,3S,4S,5R,6S)-6-{[(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C35H49NO10 (643.3356294)
SMILES:

[H][C@]12CC3=C4C(O[C@@H]5[C@@]4(CCN1CC1CC1)[C@@]21CC[C@@]5(OC)[C@H](C1)[C@@](C)(O)C(C)(C)C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3

Buprenorphine glucuronide is a metabolite of buprenorphine. Buprenorphine is a semi-synthetic opioid that is used to treat opioid addiction in higher dosages (>2 mg), to control moderate acute pain in non-opioid-tolerant individuals in lower dosages, and to control moderate chronic pain in dosages ranging from 20–70 µg/hour. (Wikipedia)