input word = C00000500

Metabolite InformationStructural formula
Name Heliocide H4
Formula C25H30O5
Mw 410.20932407
CAS RN 64960-68-5
C_ID C00000500 ,
InChIKey PHFQEHPMSYAMIH-MFQJJSDBNA-N
InChICode InChI=1S/C25H30O5/c1-12(2)7-9-16-14(5)8-10-17-22(28)19-15(11-26)21(27)23(29)18(13(3)4)20(19)24(30)25(16,17)6/h7-8,11,13,16-17,27,29H,9-10H2,1-6H3/t16-,17-,25-/m0/s1
SMILES CC(C)=CC[C@H]1C(C)=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGossypium hirsutum Ref.
PlantaeMalvaceaeGossypium sp. Ref.
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OrganismGossypium hirsutum
ReferenceStipanovic,R.D.et al.,J.Agric.Food Chem.,26,(1977),115