LIPID MAPS

Structure Database (LMSD)

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Common Name

Ternatin C1

Systematic Name

Synonyms

LM ID

LMPK12010329

Formula

C₆₀H₆₅O₃₄

Exact Mass

Calculate m/z

1329.335735

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)

FXZMULPLRTXRTF-XSNITHBASA-O

InChi (Click to copy)

InChI=1S/C60H64O34/c61-19-35-44(71)48(75)53(80)58(91-35)88-32-13-25(56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66)14-33(43(32)70)89-59-54(81)50(77)46(73)37(93-59)21-84-41(68)12-6-24-3-9-28(10-4-24)86-57-52(79)49(76)45(72)36(92-57)20-83-40(67)11-5-23-1-7-26(62)8-2-23/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55-,57-,58-,59-,60-/m1/s1

SMILES (Click to copy)

C1(O)=CC2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C7C=CC(O)=CC=7)=O)O6)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1