input word = C00011855

Metabolite InformationStructural formula
Name Acanthospermal B
Formula C22H28O8
Mw 420.17841787
CAS RN 56679-19-7
C_ID C00011855 ,
InChIKey YRUNQVZUGKDPML-MVTUEYSXNA-N
InChICode InChI=1S/C22H28O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,11-12,17-20,23H,3,5-7,10H2,1-2,4H3/b15-9-,16-8+/t12-,17+,18+,19+,20-/m1/s1
SMILES C\1(=C/CC/C(=C/[C@H]2[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)[C@H](C)CC)C(=C)C(=O)O2)/CO)/C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum australe Ref.
PlantaeAsteraceaeAcanthospermum hispidum Ref.
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