input word = C00014744

Metabolite InformationStructural formula
Name Neocalycopterone methyl ether
(2R,7aR,11R,13S,14aR)-2,3,12,13-Tetrahydro-6,7,7a,8,9,13-hexamethoxy-2,11-diphenyl-11H-furo[2,3-f:4,5-i']bis[1]benzopyran-5(7aH)-one
Formula C36H36O10
Mw 628.23084737
CAS RN 247095-90-5
C_ID C00014744 ,
InChIKey AOIFTQSYQCTSIR-LTBBEMECNA-N
InChICode InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3/t23-,24-,25+,35-,36-/m1/s1
SMILES C1(=O)C(=C([C@]2([C@@]3(C1=CC[C@@H](O3)c1ccccc1)Oc1c2c(c(c2c1[C@H](C[C@@H](O2)c1ccccc1)OC)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCalycopteris floribunda Ref.
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