input word = C00037791

Metabolite InformationStructural formula
Name Sapxanthone
(+)-Sapxanthone
Formula C30H38O9
Mw 542.25158281
CAS RN 126622-58-0
C_ID C00037791 ,
InChIKey XHMQNLOGSICKAT-ZHACJKMWNA-N
InChICode InChI=1S/C30H38O9/c1-4-5-7-12-20(31)13-8-6-9-14-25(33)38-15-10-11-19-16-24(37-3)30-27(28(19)34)29(35)26-22(32)17-21(36-2)18-23(26)39-30/h10-11,16-18,20,31-32,34H,4-9,12-15H2,1-3H3/b11-10+/t20-/m1/s1
SMILES CCCCCC(O)CCCCCC(=O)OC/C=C/c1cc(OC)c2oc3cc(OC)cc(O)c3c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSaponaria vaccaria Ref.
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
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