input word = C00046843

Metabolite InformationStructural formula
Name Oxepahyperforin
(-)-Oxepahyperforin
Formula C35H62O5
Mw 562.45972509
CAS RN 262857-89-6
C_ID C00046843 ,
InChIKey SUFKQAGGNFAGTD-NDKZPBCONA-N
InChICode InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1
SMILES C(=C(C)C)C[C@@H]1[C@]2(CC[C@H](OC3=C(C(=O)[C@@](C(=O)[C@@]23C(=O)C(C)C)(CC=C(C)C)C1)CC=C(C)C)C(C)(O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum Ref.
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