input word = C00030501

Metabolite InformationStructural formula
Name Hyperinol A
22-Deoxyhyperinol B
Formula C30H46O3
Mw 454.34469533
CAS RN 915092-58-9
C_ID C00030501 ,
InChIKey NQOAWWBALMIYHN-UHFFFAOYNA-N
InChICode InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h19-23,31H,1,8-17H2,2-7H3/t19-,20+,21-,22-,23+,26-,27+,28-,29+,30+/m0/s1
SMILES C=C1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2=O)C3C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum oblongifolium Ref.
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