input word = C00015663

Metabolite InformationStructural formula
Name Xanthoepocin
Formula C30H22O14
Mw 606.10095541
CAS RN 307494-35-5
C_ID C00015663 ,
InChIKey KJPAOKCLRDGPMI-UHFFFAOYNA-N
InChICode InChI=1S/C30H22O14/c1-9-5-11-7-13-17(19(31)15(11)25(37)41-9)23(35)27(29(39-3,43-27)21(13)33)28-24(36)18-14(22(34)30(28,40-4)44-28)8-12-6-10(2)42-26(38)16(12)20(18)32/h5-8,23-24,31-32,35-36H,1-4H3/t23-,24+,27-,28-,29-,30-/m0/s1
SMILES c1(oc(=O)c2c(c1)cc1c(c2O)[C@H]([C@@]2([C@@](C1=O)(OC)O2)[C@@]12[C@H](c3c(c4c(=O)oc(cc4cc3C(=O)[C@]1(OC)O2)C)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium simplicissimum IFO5762 Ref.
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