input word = C00034684

Metabolite InformationStructural formula
Name Sinaicinone
(+)-Sinaicinone
Formula C40H50O5
Mw 610.36582471
CAS RN 942929-01-3
C_ID C00034684 ,
InChIKey DRBMJJASDPWRHG-XMQBQTNSNA-N
InChICode InChI=1S/C40H50O5/c1-10-26(4)23-27(5)16-19-38-24-32-31(22-25(2)3)39(34(38)43,20-17-28(6)29(7)18-21-41)36(45)40(35(38)44,37(32,8)9)33(42)30-14-12-11-13-15-30/h11-19,21-22,26-27,31-32H,10,20,23-24H2,1-9H3/b19-16+,28-17+,29-18+/t26-,27+,31+,32-,38+,39-,40+/m1/s1
SMILES [C@]12(C(=O)[C@]3(C(=O)[C@@](C1=O)(C([C@H](C3)[C@@H]2C=C(C)C)(C)C)C(=O)c1ccccc1)/C=C/[C@H](C)C[C@@H](CC)C)C/C=C(\C)/C(=C/C=O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum sinaicum Ref.
zoom in