input word = C00045047

Metabolite InformationStructural formula
Name Rubiarbonone B
Formula C30H48O4
Mw 472.35526002
CAS RN 157414-07-8
C_ID C00045047 ,
InChIKey BNCWPGHWXAEYNK-NLKLWAIINA-N
InChICode InChI=1S/C30H48O4/c1-17(2)19-14-21(33)25-29(7)11-8-18-24(28(29,6)12-13-30(19,25)16-31)20(32)15-22-26(3,4)23(34)9-10-27(18,22)5/h8,17,19-22,24-25,31-33H,9-16H2,1-7H3/t19-,20-,21+,22+,24-,25+,27+,28-,29+,30+/m0/s1
SMILES C1C(=O)C([C@@H]2[C@](C1)(C1=CC[C@]3([C@]([C@@H]1[C@H](C2)O)(CC[C@@]1([C@@H]3[C@@H](C[C@H]1C(C)C)O)CO)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia yunnanensis Ref.
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