input word = C00039840

Metabolite InformationStructural formula
Name Neospirosupinanetrione
Formula C30H46O3
Mw 454.34469533
CAS RN 132831-05-1
C_ID C00039840 ,
InChIKey VHGXUAXULKOIDZ-UHFFFAOYNA-N
InChICode InChI=1S/C30H46O3/c1-18(2)19-9-10-20-26(19,5)13-14-29(8)24(33)30(16-15-27(20,29)6)23(32)17-21-25(3,4)22(31)11-12-28(21,30)7/h18-21H,9-17H2,1-8H3/t19-,20-,21+,26-,27+,28+,29+,30+/m0/s1
SMILES [C@@H]12[C@@]3([C@](CC[C@]1([C@@H](CC2)C(C)C)C)(C(=O)[C@]1(CC3)[C@]2([C@H](CC1=O)C(C(=O)CC2)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia supina Rafin Ref.
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