input word = C00033382

Metabolite InformationStructural formula
Name Sinetirucallol
Formula C31H52O
Mw 440.40181628
CAS RN 372170-93-9
C_ID C00033382 ,
InChIKey ANQORNJPGYPQIP-AUZGRKGONA-N
InChICode InChI=1S/C31H52O/c1-20(9-10-21-19-27(21,2)3)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h14,20-22,24-26,32H,9-13,15-19H2,1-8H3/t20-,21-,22-,24-,25-,26-,29+,30-,31+/m1/s1
SMILES C1[C@H](C([C@@H]2[C@@](C1)(C1=CC[C@]3([C@]([C@@H]1CC2)(CC[C@@H]3[C@@H](CC[C@H]1C(C1)(C)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSpiranthes sinensis (PERS.) AMES Ref.
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