input word = C00052989

Metabolite InformationStructural formula
Name Cleroden I
Formula C27H24O12
Mw 540.12677623
CAS RN 1610738-13-0
C_ID C00052989
InChIKey MMUXJKSLLLJYTA-BONWLAEISA-N
InChICode InChI=1S/C27H24O12/c28-15-4-1-11(7-17(15)30)8-19(26(36)37)39-27(38)23-21(13-2-5-16(29)18(31)10-13)14-9-12(3-6-20(32)33)22(23)25(35)24(14)34/h1-7,9-10,14,19,21-23,25,28-31,35H,8H2,(H,32,33)(H,36,37)/b6-3+/t14-,19+,21-,22+,23+,25-/m0/s1
SMILES O=C(O)/C=C/C1=C[C@@H]2C(=O)[C@@H](O)[C@H]1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H]2c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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