input word = C00030404

Metabolite InformationStructural formula
Name Glaberianthrone
Formula C45H46O8
Mw 714.31926845
CAS RN 1039643-38-3
C_ID C00030404 ,
InChIKey INQUOLZYEPOOMQ-ABDLSJGGNA-N
InChICode InChI=1S/C45H46O8/c1-22(2)9-8-10-24(5)11-12-28-33(46)21-32-38(30-16-26(7)18-35(48)40(30)45(52)42(32)43(28)50)37-29-15-25(6)17-34(47)39(29)44(51)41-31(37)19-27(20-36(41)49)53-14-13-23(3)4/h9,11,13,15-21,37-38,46-50H,8,10,12,14H2,1-7H3/b24-11+/t37-,38+/m1/s1
SMILES CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1[C@@H]2[C@@H]1c2cc(C)cc(O)c2C(=O)c2c(O)cc(OCC=C(C)C)cc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaePsorospermum glaberrimum Ref.
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