input word = C00051941

Metabolite InformationStructural formula
Name beta-PC-M6
beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline
Formula C27H35NO3
Mw 421.26169399
CAS RN
C_ID C00051941
InChIKey
InChICode InChI=1S/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19-,21+,22-,24-,26-,27+/m0/s1
SMILES c1ccc2c(c1)c1c([nH]2)[C@]2([C@H](C1)CC[C@@H]1[C@@]2(CC[C@H]2C1=C[C@H]([C@H](O2)C(C)(C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Ref.
FungiTrichocomaceaePenicillium paxilli Ref.
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