input word = C00035364

Metabolite InformationStructural formula
Name Petatrichol A
Formula C30H48O3
Mw 456.3603454
CAS RN 865244-52-6
C_ID C00035364 ,
InChIKey JKRDJLUZDFFCPV-QCXKXZGZNA-N
InChICode InChI=1S/C30H48O3/c1-17-11-12-26(5)22(32)16-29(8)28(7,24(26)18(17)2)14-13-27(6)19-9-10-21(31)25(3,4)20(19)15-23-30(27,29)33-23/h17-18,21-24,31-32H,9-16H2,1-8H3/t17-,18+,21-,22-,23-,24-,26-,27+,28+,29+,30-/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C)[C@H](O)C[C@]3(C)[C@@]45O[C@@H]4CC4=C(CC[C@@H](O)C4(C)C)[C@]5(C)CC[C@@]3(C)[C@H]12
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