input word = C00012079

Metabolite InformationStructural formula
Name 4,5-Dihydroxykleinifulgin
Formula C30H46O9
Mw 550.31418307
CAS RN 79383-72-5
C_ID C00012079 ,
InChIKey NLVJEJJSYMKFKV-ANCKENRDNA-N
InChICode InChI=1S/C30H46O9/c1-11-17(6)26(32)36-22-15-23-30(10,39-23)25(38-28(34)19(8)13-3)24(37-27(33)18(7)12-2)20(16(4)5)14-21(31)29(22,9)35/h11,13,18,20-25,31,35H,4,12,14-15H2,1-3,5-10H3/b17-11-,19-13-/t18-,20-,21-,22+,23-,24+,25+,29+,30-/m1/s1
SMILES C1[C@@H]([C@@]([C@@H](C[C@@H]([C@@H]([C@@H]([C@]2([C@@H]1O2)C)OC(=O)/C(=C\C)/C)OC(=O)[C@H](C)CC)C(=C)C)O)(C)O)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeKleinia fulgens Ref.
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