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 c1(c(c(c2c(c1C=O)C(=O)[C@H]1[C@@](C2=O)([C@H](C(=CC1)C)CC=C(C)C)C)C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGossypium hirsutum Ref.
PlantaeMalvaceaeGossypium sp. Ref.
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OrganismGossypium sp.
ReferenceBell,Phytochem.,17,(1978),1297