input word = C00035365

Metabolite InformationStructural formula
Name Petatrichol B
Formula C30H48O3
Mw 456.3603454
CAS RN 869502-27-2
C_ID C00035365 ,
InChIKey MQDJHKBRGRTGOR-RUVKSPJGNA-N
InChICode InChI=1S/C30H48O3/c1-17-11-12-26(5)22(32)16-30-28(7,24(26)18(17)2)14-13-27(6)19-9-10-21(31)25(3,4)20(19)15-23(33-30)29(27,30)8/h17-18,21-24,31-32H,9-16H2,1-8H3/t17-,18+,21+,22-,23-,24-,26-,27+,28+,29-,30+/m1/s1
SMILES C1[C@@H](C(C2=C(C1)[C@]1([C@]3([C@@H](C2)O[C@]23[C@@](CC1)([C@H]1[C@@]([C@@H](C2)O)(CC[C@H]([C@@H]1C)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites tricholobus Ref.
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OrganismPetasites tricholobus
ReferenceXie,Phytochem.,66,(2005),2340