input word = C00033938

Metabolite InformationStructural formula
Name Hypercalin C
(+)-Hypercalin C
Formula C30H44O5
Mw 484.31887452
CAS RN 125583-46-2
C_ID C00033938 ,
InChIKey HQQVCLPKNAOYCV-SIVMIQNVNA-N
InChICode InChI=1S/C30H44O5/c1-17(2)10-14-30(15-11-18(3)4)27(33)22(26(32)24(28(30)34)25(31)20(7)8)16-23-21(19(5)6)12-13-29(23,9)35/h10-11,20-21,23,32-33,35H,5,12-16H2,1-4,6-9H3/t21-,23-,29+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]1CC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum ascyron Ref.
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