input word = C00001985

Metabolite InformationStructural formula
Name Thiobinupharidine
Formula C30H42N2O2S
Mw 494.29669933
CAS RN 30343-72-7
C_ID C00001985 ,
InChIKey WBMOHCBEBDKSBI-HDNUTFDYNA-N
InChICode InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
SMILES C1C[C@H]([C@H]2N([C@@H]1c1cocc1)C[C@]1(CC2)C[C@]2(CS1)CN1[C@@H](CC2)[C@@H](CC[C@H]1c1cocc1)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNuphar luteum Ref.
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OrganismNuphar luteum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter23