input word = C00012499

Metabolite InformationStructural formula
Name Puliscabrin
Formula C30H42O3
Mw 450.31339521
CAS RN 84122-92-9
C_ID C00012499 ,
InChIKey CGJYIDMNRMHOEO-YHPCZJLINA-N
InChICode InChI=1S/C30H42O3/c1-18-9-8-10-21(27(32)14-25-22(18)15-30(25,6)7)17-33-28-12-11-19(2)23-16-29(4,5)24(23)13-26(31)20(28)3/h10,22-25,28H,1-3,8-9,11-17H2,4-7H3/b21-10-/t22-,23-,24-,25-,28-/m1/s1
SMILES C1(=C)CC[C@H](C(=C)C(=O)C[C@@H]2[C@@H]1CC2(C)C)OC/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1=O)C(C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePulicaria scabra Ref.
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OrganismPulicaria scabra
ReferenceBohlmann,Phytochem.,21,(1982),1659