input word = C00003735

Metabolite InformationStructural formula
Name Undulatone
Formula C27H34O11
Mw 534.21011193
CAS RN 70993-77-0
C_ID C00003735 ,
InChIKey VKCVPDRXEYKUOZ-IYOQRGJINA-N
InChICode InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25+,26-,27+/m1/s1
SMILES C1(=O)C=C([C@H]2[C@@]([C@@H]1O)([C@@H]1[C@@]34[C@@H]([C@@H]2OC(=O)/C(=C/C)/C)OC(=O)[C@@H]([C@H]3[C@H]([C@H]([C@@]1(OC4)O)O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHannoa undulata Ref.
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