input word = C00057579

Metabolite InformationStructural formula
Name Sanguiin H4
Formula C27H22O18
Mw 634.0806139
CAS RN 84316-77-8
C_ID C00057579
InChIKey MBPYHNAWMKVREM-UHFFFAOYSA-N
InChICode InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2
SMILES O=C1OC2C(OC(C3=C(C4=C1C=C(C(O)=C4O)O)C(O)=C(C(O)=C3)O)=O)C(O)C(CO)OC2OC(C5=CC(O)=C(C(O)=C5)O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSanguisorba officinalis Ref.
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